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deleted file mode 100644
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\ No newline at end of file
diff --git a/logs/ablation_alignment/bri/scPDB_fold1/command.txt b/logs/ablation_alignment/bri/scPDB_fold1/command.txt
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+++ /dev/null
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-python src/train/train_and_predict.py -e ablation_alignment -f 1 -to 3 -nw 16
\ No newline at end of file
diff --git a/logs/ablation_alignment/bri/scPDB_fold1/dataset_config.json b/logs/ablation_alignment/bri/scPDB_fold1/dataset_config.json
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\ No newline at end of file
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diff --git a/logs/ablation_alignment/bri/scPDB_fold1/train_config.json b/logs/ablation_alignment/bri/scPDB_fold1/train_config.json
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\ No newline at end of file
diff --git a/logs/ablation_alignment/bri/scPDB_fold2/command.txt b/logs/ablation_alignment/bri/scPDB_fold2/command.txt
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\ No newline at end of file
diff --git a/logs/ablation_alignment/bri/scPDB_fold2/dataset_config.json b/logs/ablation_alignment/bri/scPDB_fold2/dataset_config.json
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\ No newline at end of file
diff --git a/logs/ablation_alignment/bri/scPDB_fold2/epoch=77-step=31199.ckpt b/logs/ablation_alignment/bri/scPDB_fold2/epoch=77-step=31199.ckpt
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diff --git a/logs/ablation_alignment/bri/scPDB_fold2/train_config.json b/logs/ablation_alignment/bri/scPDB_fold2/train_config.json
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+++ /dev/null
@@ -1 +0,0 @@
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\ No newline at end of file
diff --git a/logs/ablation_alignment/bri/scPDB_fold3/command.txt b/logs/ablation_alignment/bri/scPDB_fold3/command.txt
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+++ /dev/null
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\ No newline at end of file
diff --git a/logs/ablation_alignment/bri/scPDB_fold3/dataset_config.json b/logs/ablation_alignment/bri/scPDB_fold3/dataset_config.json
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\ No newline at end of file
diff --git a/logs/ablation_alignment/bri/scPDB_fold3/epoch=59-step=23999.ckpt b/logs/ablation_alignment/bri/scPDB_fold3/epoch=59-step=23999.ckpt
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diff --git a/logs/ablation_alignment/bri/scPDB_fold3/train_config.json b/logs/ablation_alignment/bri/scPDB_fold3/train_config.json
deleted file mode 100644
index ed2f108fef1afc358ee89ed79f7f5b008dba085e..0000000000000000000000000000000000000000
--- a/logs/ablation_alignment/bri/scPDB_fold3/train_config.json
+++ /dev/null
@@ -1 +0,0 @@
-{"detection": false, "batch_size": 4, "epochs": 150, "stop_epoch": 90, "num_workers": 16, "gpus": 4, "accumulate": 1, "scheduler": "cos", "scheduler_config": {"max_lr": 0.0001, "warmup_steps": 6000.0}, "max_num_decay": null, "af_lambda": 1.0, "af_lambda_warmup": 6000.0}
\ No newline at end of file
diff --git a/logs/ablation_alignment/bri/scPDB_fold4/command.txt b/logs/ablation_alignment/bri/scPDB_fold4/command.txt
deleted file mode 100644
index 0be6cdfb1e1cfe0e32e56f775071d16d2b27383c..0000000000000000000000000000000000000000
--- a/logs/ablation_alignment/bri/scPDB_fold4/command.txt
+++ /dev/null
@@ -1 +0,0 @@
-python src/train/train_and_predict.py -e ablation_alignment -f 4 -to 3 -nw 16
\ No newline at end of file
diff --git a/logs/ablation_alignment/bri/scPDB_fold4/dataset_config.json b/logs/ablation_alignment/bri/scPDB_fold4/dataset_config.json
deleted file mode 100644
index 1b88114644e32f054005982546b40b6932f4fd19..0000000000000000000000000000000000000000
--- a/logs/ablation_alignment/bri/scPDB_fold4/dataset_config.json
+++ /dev/null
@@ -1 +0,0 @@
-{"trn": {"dataset": "scPDB", "CA_within": 17, "type": "pocket", "fold": 4, "seq_based": false, "only_positive_pockets": true, "output_pocket_label": false, "mode": "train", "num_samples": 1600, "grid_rotation": "random", "frame_rotation": 0.1, "rdo": null, "af_aug": {"use": true, "prefix": "t30_", "distilled_by": null}}, "val": {"dataset": "scPDB", "CA_within": 17, "type": "pocket", "fold": 4, "seq_based": false, "only_positive_pockets": true, "output_pocket_label": false, "mode": "dev", "num_samples": 512, "grid_rotation": null, "frame_rotation": null}}
\ No newline at end of file
diff --git a/logs/ablation_alignment/bri/scPDB_fold4/epoch=71-step=28799.ckpt b/logs/ablation_alignment/bri/scPDB_fold4/epoch=71-step=28799.ckpt
deleted file mode 100644
index 7035a7939fb9a3510640adf18ccb5fcc53266c20..0000000000000000000000000000000000000000
--- a/logs/ablation_alignment/bri/scPDB_fold4/epoch=71-step=28799.ckpt
+++ /dev/null
@@ -1,3 +0,0 @@
-version https://git-lfs.github.com/spec/v1
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deleted file mode 100644
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--- a/logs/ablation_alignment/bri/scPDB_fold4/events.out.tfevents.1665908504.syn07.1345390.0
+++ /dev/null
@@ -1,3 +0,0 @@
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index 0967ef424bce6791893e9a57bb952f80fd536e93..0000000000000000000000000000000000000000
--- a/logs/ablation_alignment/bri/scPDB_fold4/hparams.yaml
+++ /dev/null
@@ -1 +0,0 @@
-{}
diff --git a/logs/ablation_alignment/bri/scPDB_fold4/last.ckpt b/logs/ablation_alignment/bri/scPDB_fold4/last.ckpt
deleted file mode 100644
index 24793fe0273df8e1cc979489e8a6835eda416594..0000000000000000000000000000000000000000
--- a/logs/ablation_alignment/bri/scPDB_fold4/last.ckpt
+++ /dev/null
@@ -1,3 +0,0 @@
-version https://git-lfs.github.com/spec/v1
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diff --git a/logs/ablation_alignment/bri/scPDB_fold4/metrics.csv b/logs/ablation_alignment/bri/scPDB_fold4/metrics.csv
deleted file mode 100644
index bf693b388ff75a301dbb86ddc6898b0d36714c50..0000000000000000000000000000000000000000
--- a/logs/ablation_alignment/bri/scPDB_fold4/metrics.csv
+++ /dev/null
@@ -1,358 +0,0 @@
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diff --git a/logs/ablation_alignment/bri/scPDB_fold4/train_config.json b/logs/ablation_alignment/bri/scPDB_fold4/train_config.json
deleted file mode 100644
index ed2f108fef1afc358ee89ed79f7f5b008dba085e..0000000000000000000000000000000000000000
--- a/logs/ablation_alignment/bri/scPDB_fold4/train_config.json
+++ /dev/null
@@ -1 +0,0 @@
-{"detection": false, "batch_size": 4, "epochs": 150, "stop_epoch": 90, "num_workers": 16, "gpus": 4, "accumulate": 1, "scheduler": "cos", "scheduler_config": {"max_lr": 0.0001, "warmup_steps": 6000.0}, "max_num_decay": null, "af_lambda": 1.0, "af_lambda_warmup": 6000.0}
\ No newline at end of file
diff --git a/logs/ablation_alignment/bri/scPDB_fold5/command.txt b/logs/ablation_alignment/bri/scPDB_fold5/command.txt
deleted file mode 100644
index 39238fb94f17f83e0c17ebc3d71d265214fdc3bf..0000000000000000000000000000000000000000
--- a/logs/ablation_alignment/bri/scPDB_fold5/command.txt
+++ /dev/null
@@ -1 +0,0 @@
-python src/train/train_and_predict.py -e ablation_alignment -f 5 -to 3 -nw 16
\ No newline at end of file
diff --git a/logs/ablation_alignment/bri/scPDB_fold5/dataset_config.json b/logs/ablation_alignment/bri/scPDB_fold5/dataset_config.json
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index b18c6691dbc9251c25089947af7b4a0180b5c9ac..0000000000000000000000000000000000000000
--- a/logs/ablation_alignment/bri/scPDB_fold5/dataset_config.json
+++ /dev/null
@@ -1 +0,0 @@
-{"trn": {"dataset": "scPDB", "CA_within": 17, "type": "pocket", "fold": 5, "seq_based": false, "only_positive_pockets": true, "output_pocket_label": false, "mode": "train", "num_samples": 1600, "grid_rotation": "random", "frame_rotation": 0.1, "rdo": null, "af_aug": {"use": true, "prefix": "t30_", "distilled_by": null}}, "val": {"dataset": "scPDB", "CA_within": 17, "type": "pocket", "fold": 5, "seq_based": false, "only_positive_pockets": true, "output_pocket_label": false, "mode": "dev", "num_samples": 512, "grid_rotation": null, "frame_rotation": null}}
\ No newline at end of file
diff --git a/logs/ablation_alignment/bri/scPDB_fold5/epoch=73-step=29599.ckpt b/logs/ablation_alignment/bri/scPDB_fold5/epoch=73-step=29599.ckpt
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--- a/logs/ablation_alignment/bri/scPDB_fold5/epoch=73-step=29599.ckpt
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diff --git a/logs/ablation_alignment/bri/scPDB_fold5/last.ckpt b/logs/ablation_alignment/bri/scPDB_fold5/last.ckpt
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diff --git a/logs/ablation_alignment/bri/scPDB_fold5/train_config.json b/logs/ablation_alignment/bri/scPDB_fold5/train_config.json
deleted file mode 100644
index ed2f108fef1afc358ee89ed79f7f5b008dba085e..0000000000000000000000000000000000000000
--- a/logs/ablation_alignment/bri/scPDB_fold5/train_config.json
+++ /dev/null
@@ -1 +0,0 @@
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\ No newline at end of file
diff --git a/logs/ablation_alignment/bsd/model_config.json b/logs/ablation_alignment/bsd/model_config.json
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--- a/logs/ablation_alignment/bsd/model_config.json
+++ /dev/null
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\ No newline at end of file
diff --git a/logs/ablation_alignment/bsd/scPDB_fold2/command.txt b/logs/ablation_alignment/bsd/scPDB_fold2/command.txt
deleted file mode 100644
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--- a/logs/ablation_alignment/bsd/scPDB_fold2/command.txt
+++ /dev/null
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-python src/train/train_and_predict.py -e ablation_alignment -f 2 -to 3 -nw 16
\ No newline at end of file
diff --git a/logs/ablation_alignment/bsd/scPDB_fold2/dataset_config.json b/logs/ablation_alignment/bsd/scPDB_fold2/dataset_config.json
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\ No newline at end of file
diff --git a/logs/ablation_alignment/bsd/scPDB_fold2/epoch=23-step=9599.ckpt b/logs/ablation_alignment/bsd/scPDB_fold2/epoch=23-step=9599.ckpt
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diff --git a/logs/ablation_alignment/bsd/scPDB_fold2/train_config.json b/logs/ablation_alignment/bsd/scPDB_fold2/train_config.json
deleted file mode 100644
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\ No newline at end of file
diff --git a/logs/ablation_alignment/bsd/scPDB_fold3/hparams.yaml b/logs/ablation_alignment/bsd/scPDB_fold3/hparams.yaml
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\ No newline at end of file
diff --git a/logs/ablation_alignment/bsd/scPDB_fold4/dataset_config.json b/logs/ablation_alignment/bsd/scPDB_fold4/dataset_config.json
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\ No newline at end of file
diff --git a/logs/ablation_alignment/bsd/scPDB_fold4/epoch=13-step=5599.ckpt b/logs/ablation_alignment/bsd/scPDB_fold4/epoch=13-step=5599.ckpt
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diff --git a/logs/ablation_alignment/bsd/scPDB_fold4/train_config.json b/logs/ablation_alignment/bsd/scPDB_fold4/train_config.json
deleted file mode 100644
index 3565b2c019d075860fd862e45e54e6858efc7eb0..0000000000000000000000000000000000000000
--- a/logs/ablation_alignment/bsd/scPDB_fold4/train_config.json
+++ /dev/null
@@ -1 +0,0 @@
-{"detection": true, "batch_size": 4, "epochs": 50, "stop_epoch": null, "num_workers": 16, "gpus": 4, "accumulate": 1, "scheduler": "cos", "scheduler_config": {"max_lr": 1e-05, "warmup_steps": 4000.0}, "max_num_decay": null, "seg": {"freeze_til": 8000}, "af_lambda": 1.0, "af_lambda_warmup": 4000.0}
\ No newline at end of file
diff --git a/logs/ablation_alignment/bsd_pre/model_config.json b/logs/ablation_alignment/bsd_pre/model_config.json
deleted file mode 100644
index dd748623180a8b664981cd82a44da9f50bf77e76..0000000000000000000000000000000000000000
--- a/logs/ablation_alignment/bsd_pre/model_config.json
+++ /dev/null
@@ -1 +0,0 @@
-{"model": "ipa", "model_config": {"ipa": {"num_layers": 3, "hidden_dim": 128, "inter_dim": 512, "dropout_p": 0.1, "num_heads": 12, "qk_dim": 16, "v_dim": 16, "num_qk_vec": 4, "num_v_vec": 8}}, "weight_from": null}
\ No newline at end of file
diff --git a/logs/ablation_alignment/bsd_pre/scPDB_fold1/command.txt b/logs/ablation_alignment/bsd_pre/scPDB_fold1/command.txt
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+++ /dev/null
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-python src/train/train_and_predict.py -e ablation_alignment -f 1 -to 3 -nw 16
\ No newline at end of file
diff --git a/logs/ablation_alignment/bsd_pre/scPDB_fold1/dataset_config.json b/logs/ablation_alignment/bsd_pre/scPDB_fold1/dataset_config.json
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-{"trn": {"dataset": "scPDB", "CA_within": 17, "type": "pocket", "fold": 1, "seq_based": false, "only_positive_pockets": false, "output_pocket_label": false, "mode": "train", "num_samples": 1600, "grid_rotation": "random", "frame_rotation": 0.1, "rdo": null, "af_aug": {"use": true, "prefix": "t30_", "distilled_by": null}}, "val": {"dataset": "scPDB", "CA_within": 17, "type": "pocket", "fold": 1, "seq_based": false, "only_positive_pockets": false, "output_pocket_label": false, "mode": "dev", "num_samples": 512, "grid_rotation": null, "frame_rotation": null}}
\ No newline at end of file
diff --git a/logs/ablation_alignment/bsd_pre/scPDB_fold1/epoch=77-step=31199.ckpt b/logs/ablation_alignment/bsd_pre/scPDB_fold1/epoch=77-step=31199.ckpt
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diff --git a/logs/ablation_alignment/bsd_pre/scPDB_fold1/train_config.json b/logs/ablation_alignment/bsd_pre/scPDB_fold1/train_config.json
deleted file mode 100644
index 10e7d5ae637a818423403582d636eea48ce18c12..0000000000000000000000000000000000000000
--- a/logs/ablation_alignment/bsd_pre/scPDB_fold1/train_config.json
+++ /dev/null
@@ -1 +0,0 @@
-{"detection": false, "batch_size": 4, "epochs": 150, "stop_epoch": null, "num_workers": 16, "gpus": 4, "accumulate": 1, "scheduler": "cos", "scheduler_config": {"max_lr": 0.0001, "warmup_steps": 6000.0}, "max_num_decay": null, "af_lambda": 1.0, "af_lambda_warmup": 6000.0}
\ No newline at end of file
diff --git a/logs/ablation_alignment/bsd_pre/scPDB_fold2/command.txt b/logs/ablation_alignment/bsd_pre/scPDB_fold2/command.txt
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index 8868c47f08154b92a8a2412d5e52c8775e7186cd..0000000000000000000000000000000000000000
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+++ /dev/null
@@ -1 +0,0 @@
-python src/train/train_and_predict.py -e ablation_alignment -f 2 -to 3 -nw 16
\ No newline at end of file
diff --git a/logs/ablation_alignment/bsd_pre/scPDB_fold2/dataset_config.json b/logs/ablation_alignment/bsd_pre/scPDB_fold2/dataset_config.json
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+++ /dev/null
@@ -1 +0,0 @@
-{"trn": {"dataset": "scPDB", "CA_within": 17, "type": "pocket", "fold": 2, "seq_based": false, "only_positive_pockets": false, "output_pocket_label": false, "mode": "train", "num_samples": 1600, "grid_rotation": "random", "frame_rotation": 0.1, "rdo": null, "af_aug": {"use": true, "prefix": "t30_", "distilled_by": null}}, "val": {"dataset": "scPDB", "CA_within": 17, "type": "pocket", "fold": 2, "seq_based": false, "only_positive_pockets": false, "output_pocket_label": false, "mode": "dev", "num_samples": 512, "grid_rotation": null, "frame_rotation": null}}
\ No newline at end of file
diff --git a/logs/ablation_alignment/bsd_pre/scPDB_fold2/epoch=54-step=21999.ckpt b/logs/ablation_alignment/bsd_pre/scPDB_fold2/epoch=54-step=21999.ckpt
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diff --git a/logs/ablation_alignment/bsd_pre/scPDB_fold2/train_config.json b/logs/ablation_alignment/bsd_pre/scPDB_fold2/train_config.json
deleted file mode 100644
index 10e7d5ae637a818423403582d636eea48ce18c12..0000000000000000000000000000000000000000
--- a/logs/ablation_alignment/bsd_pre/scPDB_fold2/train_config.json
+++ /dev/null
@@ -1 +0,0 @@
-{"detection": false, "batch_size": 4, "epochs": 150, "stop_epoch": null, "num_workers": 16, "gpus": 4, "accumulate": 1, "scheduler": "cos", "scheduler_config": {"max_lr": 0.0001, "warmup_steps": 6000.0}, "max_num_decay": null, "af_lambda": 1.0, "af_lambda_warmup": 6000.0}
\ No newline at end of file
diff --git a/logs/ablation_alignment/bsd_pre/scPDB_fold3/command.txt b/logs/ablation_alignment/bsd_pre/scPDB_fold3/command.txt
deleted file mode 100644
index b8e34de7d2c5e9f48f303ff7d883cdbf75288b87..0000000000000000000000000000000000000000
--- a/logs/ablation_alignment/bsd_pre/scPDB_fold3/command.txt
+++ /dev/null
@@ -1 +0,0 @@
-python src/train/train_and_predict.py -e ablation_alignment -f 3 -to 3 -nw 16
\ No newline at end of file
diff --git a/logs/ablation_alignment/bsd_pre/scPDB_fold3/dataset_config.json b/logs/ablation_alignment/bsd_pre/scPDB_fold3/dataset_config.json
deleted file mode 100644
index 541c54d10f32bea7b019c86d0de18b7a17174067..0000000000000000000000000000000000000000
--- a/logs/ablation_alignment/bsd_pre/scPDB_fold3/dataset_config.json
+++ /dev/null
@@ -1 +0,0 @@
-{"trn": {"dataset": "scPDB", "CA_within": 17, "type": "pocket", "fold": 3, "seq_based": false, "only_positive_pockets": false, "output_pocket_label": false, "mode": "train", "num_samples": 1600, "grid_rotation": "random", "frame_rotation": 0.1, "rdo": null, "af_aug": {"use": true, "prefix": "t30_", "distilled_by": null}}, "val": {"dataset": "scPDB", "CA_within": 17, "type": "pocket", "fold": 3, "seq_based": false, "only_positive_pockets": false, "output_pocket_label": false, "mode": "dev", "num_samples": 512, "grid_rotation": null, "frame_rotation": null}}
\ No newline at end of file
diff --git a/logs/ablation_alignment/bsd_pre/scPDB_fold3/epoch=72-step=29199.ckpt b/logs/ablation_alignment/bsd_pre/scPDB_fold3/epoch=72-step=29199.ckpt
deleted file mode 100644
index 7d0639c28bbcb3be70fb03dcc00466490624caba..0000000000000000000000000000000000000000
--- a/logs/ablation_alignment/bsd_pre/scPDB_fold3/epoch=72-step=29199.ckpt
+++ /dev/null
@@ -1,3 +0,0 @@
-version https://git-lfs.github.com/spec/v1
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diff --git a/logs/ablation_alignment/bsd_pre/scPDB_fold3/events.out.tfevents.1665852446.syn07.3433397.1 b/logs/ablation_alignment/bsd_pre/scPDB_fold3/events.out.tfevents.1665852446.syn07.3433397.1
deleted file mode 100644
index 9d7ed858304350be91a0f12370d902d80475b296..0000000000000000000000000000000000000000
--- a/logs/ablation_alignment/bsd_pre/scPDB_fold3/events.out.tfevents.1665852446.syn07.3433397.1
+++ /dev/null
@@ -1,3 +0,0 @@
-version https://git-lfs.github.com/spec/v1
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diff --git a/logs/ablation_alignment/bsd_pre/scPDB_fold3/hparams.yaml b/logs/ablation_alignment/bsd_pre/scPDB_fold3/hparams.yaml
deleted file mode 100644
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--- a/logs/ablation_alignment/bsd_pre/scPDB_fold3/hparams.yaml
+++ /dev/null
@@ -1 +0,0 @@
-{}
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--- a/logs/ablation_alignment/bsd_pre/scPDB_fold3/train_config.json
+++ /dev/null
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\ No newline at end of file
diff --git a/logs/ablation_alignment/bsd_pre/scPDB_fold4/command.txt b/logs/ablation_alignment/bsd_pre/scPDB_fold4/command.txt
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\ No newline at end of file
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\ No newline at end of file
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index 10e7d5ae637a818423403582d636eea48ce18c12..0000000000000000000000000000000000000000
--- a/logs/ablation_alignment/bsd_pre/scPDB_fold4/train_config.json
+++ /dev/null
@@ -1 +0,0 @@
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\ No newline at end of file
diff --git a/logs/ablation_alignment/bsd_pre/scPDB_fold5/command.txt b/logs/ablation_alignment/bsd_pre/scPDB_fold5/command.txt
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\ No newline at end of file
diff --git a/logs/ablation_alignment/bsd_pre/scPDB_fold5/dataset_config.json b/logs/ablation_alignment/bsd_pre/scPDB_fold5/dataset_config.json
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\ No newline at end of file
diff --git a/logs/ablation_alignment/bsd_pre/scPDB_fold5/epoch=64-step=25999.ckpt b/logs/ablation_alignment/bsd_pre/scPDB_fold5/epoch=64-step=25999.ckpt
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diff --git a/logs/ablation_alignment/bsd_pre/scPDB_fold5/train_config.json b/logs/ablation_alignment/bsd_pre/scPDB_fold5/train_config.json
deleted file mode 100644
index 10e7d5ae637a818423403582d636eea48ce18c12..0000000000000000000000000000000000000000
--- a/logs/ablation_alignment/bsd_pre/scPDB_fold5/train_config.json
+++ /dev/null
@@ -1 +0,0 @@
-{"detection": false, "batch_size": 4, "epochs": 150, "stop_epoch": null, "num_workers": 16, "gpus": 4, "accumulate": 1, "scheduler": "cos", "scheduler_config": {"max_lr": 0.0001, "warmup_steps": 6000.0}, "max_num_decay": null, "af_lambda": 1.0, "af_lambda_warmup": 6000.0}
\ No newline at end of file
diff --git a/logs/ablation_aug/bri/scPDB_fold1/command.txt b/logs/ablation_aug/bri/scPDB_fold1/command.txt
deleted file mode 100644
index 544e77645e7367277426454ba73b728cacc2997a..0000000000000000000000000000000000000000
--- a/logs/ablation_aug/bri/scPDB_fold1/command.txt
+++ /dev/null
@@ -1 +0,0 @@
-python src/train/train_and_predict.py -e ablation_aug -f 1 -to 3 -nw 8
\ No newline at end of file
diff --git a/logs/ablation_aug/bri/scPDB_fold1/dataset_config.json b/logs/ablation_aug/bri/scPDB_fold1/dataset_config.json
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index becdc0b3f54730f72504402240916814ff8b2e9b..0000000000000000000000000000000000000000
--- a/logs/ablation_aug/bri/scPDB_fold1/dataset_config.json
+++ /dev/null
@@ -1 +0,0 @@
-{"trn": {"dataset": "scPDB", "CA_within": 17, "type": "pocket", "fold": 1, "seq_based": false, "only_positive_pockets": true, "output_pocket_label": false, "mode": "train", "num_samples": 1600, "grid_rotation": null, "frame_rotation": null, "rdo": null, "af_aug": {"use": false, "prefix": "", "distilled_by": null}}, "val": {"dataset": "scPDB", "CA_within": 17, "type": "pocket", "fold": 1, "seq_based": false, "only_positive_pockets": true, "output_pocket_label": false, "mode": "dev", "num_samples": 512, "grid_rotation": null, "frame_rotation": null}}
\ No newline at end of file
diff --git a/logs/ablation_aug/bri/scPDB_fold1/epoch=6-step=2799.ckpt b/logs/ablation_aug/bri/scPDB_fold1/epoch=6-step=2799.ckpt
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--- a/logs/ablation_aug/bri/scPDB_fold1/epoch=6-step=2799.ckpt
+++ /dev/null
@@ -1,3 +0,0 @@
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+++ /dev/null
@@ -1 +0,0 @@
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diff --git a/logs/ablation_aug/bri/scPDB_fold1/last.ckpt b/logs/ablation_aug/bri/scPDB_fold1/last.ckpt
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index ed07d47a92671ad42d5b384465fd2549a5f91da9..0000000000000000000000000000000000000000
--- a/logs/ablation_aug/bri/scPDB_fold1/last.ckpt
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--- a/logs/ablation_aug/bri/scPDB_fold1/metrics.csv
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diff --git a/logs/ablation_aug/bri/scPDB_fold1/train_config.json b/logs/ablation_aug/bri/scPDB_fold1/train_config.json
deleted file mode 100644
index 366d22d61fae33bf4e09683880b7f8af1651ea3a..0000000000000000000000000000000000000000
--- a/logs/ablation_aug/bri/scPDB_fold1/train_config.json
+++ /dev/null
@@ -1 +0,0 @@
-{"detection": false, "batch_size": 4, "epochs": 150, "stop_epoch": 90, "num_workers": 8, "gpus": 4, "accumulate": 1, "scheduler": "cos", "scheduler_config": {"max_lr": 0.0001, "warmup_steps": 6000.0}, "max_num_decay": null}
\ No newline at end of file
diff --git a/logs/ablation_aug/bri/scPDB_fold3/command.txt b/logs/ablation_aug/bri/scPDB_fold3/command.txt
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index 51076d2d78a7c15d01bb674467a4f76e0b25064c..0000000000000000000000000000000000000000
--- a/logs/ablation_aug/bri/scPDB_fold3/command.txt
+++ /dev/null
@@ -1 +0,0 @@
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\ No newline at end of file
diff --git a/logs/ablation_aug/bri/scPDB_fold3/dataset_config.json b/logs/ablation_aug/bri/scPDB_fold3/dataset_config.json
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index b6a50b9039259364d9ec3aabcfb0c8d4cb7746d3..0000000000000000000000000000000000000000
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+++ /dev/null
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-{"trn": {"dataset": "scPDB", "CA_within": 17, "type": "pocket", "fold": 3, "seq_based": false, "only_positive_pockets": true, "output_pocket_label": false, "mode": "train", "num_samples": 1600, "grid_rotation": null, "frame_rotation": null, "rdo": null, "af_aug": {"use": false, "prefix": "", "distilled_by": null}}, "val": {"dataset": "scPDB", "CA_within": 17, "type": "pocket", "fold": 3, "seq_based": false, "only_positive_pockets": true, "output_pocket_label": false, "mode": "dev", "num_samples": 512, "grid_rotation": null, "frame_rotation": null}}
\ No newline at end of file
diff --git a/logs/ablation_aug/bri/scPDB_fold3/epoch=7-step=3199.ckpt b/logs/ablation_aug/bri/scPDB_fold3/epoch=7-step=3199.ckpt
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diff --git a/logs/ablation_aug/bri/scPDB_fold3/train_config.json b/logs/ablation_aug/bri/scPDB_fold3/train_config.json
deleted file mode 100644
index 366d22d61fae33bf4e09683880b7f8af1651ea3a..0000000000000000000000000000000000000000
--- a/logs/ablation_aug/bri/scPDB_fold3/train_config.json
+++ /dev/null
@@ -1 +0,0 @@
-{"detection": false, "batch_size": 4, "epochs": 150, "stop_epoch": 90, "num_workers": 8, "gpus": 4, "accumulate": 1, "scheduler": "cos", "scheduler_config": {"max_lr": 0.0001, "warmup_steps": 6000.0}, "max_num_decay": null}
\ No newline at end of file
diff --git a/logs/ablation_aug/bri/scPDB_fold5/command.txt b/logs/ablation_aug/bri/scPDB_fold5/command.txt
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index 90a30672cf0c0eb2a152b68ebd82f0e39b696486..0000000000000000000000000000000000000000
--- a/logs/ablation_aug/bri/scPDB_fold5/command.txt
+++ /dev/null
@@ -1 +0,0 @@
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\ No newline at end of file
diff --git a/logs/ablation_aug/bri/scPDB_fold5/dataset_config.json b/logs/ablation_aug/bri/scPDB_fold5/dataset_config.json
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+++ /dev/null
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-{"trn": {"dataset": "scPDB", "CA_within": 17, "type": "pocket", "fold": 5, "seq_based": false, "only_positive_pockets": true, "output_pocket_label": false, "mode": "train", "num_samples": 1600, "grid_rotation": null, "frame_rotation": null, "rdo": null, "af_aug": {"use": false, "prefix": "", "distilled_by": null}}, "val": {"dataset": "scPDB", "CA_within": 17, "type": "pocket", "fold": 5, "seq_based": false, "only_positive_pockets": true, "output_pocket_label": false, "mode": "dev", "num_samples": 512, "grid_rotation": null, "frame_rotation": null}}
\ No newline at end of file
diff --git a/logs/ablation_aug/bri/scPDB_fold5/epoch=6-step=2799.ckpt b/logs/ablation_aug/bri/scPDB_fold5/epoch=6-step=2799.ckpt
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\ No newline at end of file
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diff --git a/logs/ablation_aug/bsd/scPDB_fold1/train_config.json b/logs/ablation_aug/bsd/scPDB_fold1/train_config.json
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\ No newline at end of file
diff --git a/logs/ablation_aug/bsd/scPDB_fold2/command.txt b/logs/ablation_aug/bsd/scPDB_fold2/command.txt
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\ No newline at end of file
diff --git a/logs/ablation_aug/bsd/scPDB_fold2/dataset_config.json b/logs/ablation_aug/bsd/scPDB_fold2/dataset_config.json
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diff --git a/logs/ablation_aug/bsd/scPDB_fold2/epoch=4-step=1999.ckpt b/logs/ablation_aug/bsd/scPDB_fold2/epoch=4-step=1999.ckpt
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diff --git a/logs/ablation_aug/bsd/scPDB_fold3/command.txt b/logs/ablation_aug/bsd/scPDB_fold3/command.txt
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\ No newline at end of file
diff --git a/logs/ablation_aug/bsd/scPDB_fold3/dataset_config.json b/logs/ablation_aug/bsd/scPDB_fold3/dataset_config.json
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\ No newline at end of file
diff --git a/logs/ablation_aug/bsd/scPDB_fold3/epoch=4-step=1999.ckpt b/logs/ablation_aug/bsd/scPDB_fold3/epoch=4-step=1999.ckpt
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diff --git a/logs/ablation_aug/bsd/scPDB_fold3/train_config.json b/logs/ablation_aug/bsd/scPDB_fold3/train_config.json
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\ No newline at end of file
diff --git a/logs/ablation_aug/bsd/scPDB_fold4/command.txt b/logs/ablation_aug/bsd/scPDB_fold4/command.txt
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\ No newline at end of file
diff --git a/logs/ablation_aug/bsd/scPDB_fold4/dataset_config.json b/logs/ablation_aug/bsd/scPDB_fold4/dataset_config.json
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\ No newline at end of file
diff --git a/logs/ablation_aug/bsd/scPDB_fold4/epoch=4-step=1999.ckpt b/logs/ablation_aug/bsd/scPDB_fold4/epoch=4-step=1999.ckpt
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diff --git a/logs/ablation_aug/bsd/scPDB_fold4/train_config.json b/logs/ablation_aug/bsd/scPDB_fold4/train_config.json
deleted file mode 100644
index bd06ad456f7f89b6d3e93f5cca9271e4a470f547..0000000000000000000000000000000000000000
--- a/logs/ablation_aug/bsd/scPDB_fold4/train_config.json
+++ /dev/null
@@ -1 +0,0 @@
-{"detection": true, "batch_size": 4, "epochs": 50, "stop_epoch": null, "num_workers": 8, "gpus": 4, "accumulate": 1, "scheduler": "cos", "scheduler_config": {"max_lr": 1e-05, "warmup_steps": 4000.0}, "max_num_decay": null, "seg": {"freeze_til": 8000}}
\ No newline at end of file
diff --git a/logs/ablation_aug/bsd/scPDB_fold5/command.txt b/logs/ablation_aug/bsd/scPDB_fold5/command.txt
deleted file mode 100644
index 90a30672cf0c0eb2a152b68ebd82f0e39b696486..0000000000000000000000000000000000000000
--- a/logs/ablation_aug/bsd/scPDB_fold5/command.txt
+++ /dev/null
@@ -1 +0,0 @@
-python src/train/train_and_predict.py -e ablation_aug -f 5 -to 3 -nw 8
\ No newline at end of file
diff --git a/logs/ablation_aug/bsd/scPDB_fold5/dataset_config.json b/logs/ablation_aug/bsd/scPDB_fold5/dataset_config.json
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@@ -1 +0,0 @@
-{"trn": {"dataset": "scPDB", "CA_within": 17, "type": "pocket", "fold": 5, "seq_based": false, "only_positive_pockets": false, "output_pocket_label": true, "mode": "train", "num_samples": 1600, "grid_rotation": null, "frame_rotation": null, "rdo": null, "af_aug": {"use": false, "prefix": "", "distilled_by": null}}, "val": {"dataset": "scPDB", "CA_within": 17, "type": "pocket", "fold": 5, "seq_based": false, "only_positive_pockets": false, "output_pocket_label": true, "mode": "dev", "num_samples": 512, "grid_rotation": null, "frame_rotation": null}}
\ No newline at end of file
diff --git a/logs/ablation_aug/bsd/scPDB_fold5/epoch=4-step=1999.ckpt b/logs/ablation_aug/bsd/scPDB_fold5/epoch=4-step=1999.ckpt
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--- a/logs/ablation_aug/bsd/scPDB_fold5/epoch=4-step=1999.ckpt
+++ /dev/null
@@ -1,3 +0,0 @@
-version https://git-lfs.github.com/spec/v1
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+++ /dev/null
@@ -1 +0,0 @@
-{}
diff --git a/logs/ablation_aug/bsd/scPDB_fold5/last.ckpt b/logs/ablation_aug/bsd/scPDB_fold5/last.ckpt
deleted file mode 100644
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--- a/logs/ablation_aug/bsd/scPDB_fold5/last.ckpt
+++ /dev/null
@@ -1,3 +0,0 @@
-version https://git-lfs.github.com/spec/v1
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--- a/logs/ablation_aug/bsd/scPDB_fold5/metrics.csv
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diff --git a/logs/ablation_aug/bsd/scPDB_fold5/train_config.json b/logs/ablation_aug/bsd/scPDB_fold5/train_config.json
deleted file mode 100644
index bd06ad456f7f89b6d3e93f5cca9271e4a470f547..0000000000000000000000000000000000000000
--- a/logs/ablation_aug/bsd/scPDB_fold5/train_config.json
+++ /dev/null
@@ -1 +0,0 @@
-{"detection": true, "batch_size": 4, "epochs": 50, "stop_epoch": null, "num_workers": 8, "gpus": 4, "accumulate": 1, "scheduler": "cos", "scheduler_config": {"max_lr": 1e-05, "warmup_steps": 4000.0}, "max_num_decay": null, "seg": {"freeze_til": 8000}}
\ No newline at end of file
diff --git a/logs/ablation_aug/bsd_pre/model_config.json b/logs/ablation_aug/bsd_pre/model_config.json
deleted file mode 100644
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+++ /dev/null
@@ -1 +0,0 @@
-{"model": "ipa", "model_config": {"ipa": {"num_layers": 3, "hidden_dim": 128, "inter_dim": 512, "dropout_p": 0.1, "num_heads": 12, "qk_dim": 16, "v_dim": 16, "num_qk_vec": 4, "num_v_vec": 8}}, "weight_from": null}
\ No newline at end of file
diff --git a/logs/ablation_aug/bsd_pre/scPDB_fold1/command.txt b/logs/ablation_aug/bsd_pre/scPDB_fold1/command.txt
deleted file mode 100644
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--- a/logs/ablation_aug/bsd_pre/scPDB_fold1/command.txt
+++ /dev/null
@@ -1 +0,0 @@
-python src/train/train_and_predict.py -e ablation_aug -f 1 -to 3 -nw 8
\ No newline at end of file
diff --git a/logs/ablation_aug/bsd_pre/scPDB_fold1/dataset_config.json b/logs/ablation_aug/bsd_pre/scPDB_fold1/dataset_config.json
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-{"trn": {"dataset": "scPDB", "CA_within": 17, "type": "pocket", "fold": 1, "seq_based": false, "only_positive_pockets": false, "output_pocket_label": false, "mode": "train", "num_samples": 1600, "grid_rotation": null, "frame_rotation": null, "rdo": null, "af_aug": {"use": false, "prefix": "", "distilled_by": null}}, "val": {"dataset": "scPDB", "CA_within": 17, "type": "pocket", "fold": 1, "seq_based": false, "only_positive_pockets": false, "output_pocket_label": false, "mode": "dev", "num_samples": 512, "grid_rotation": null, "frame_rotation": null}}
\ No newline at end of file
diff --git a/logs/ablation_aug/bsd_pre/scPDB_fold1/epoch=32-step=13199.ckpt b/logs/ablation_aug/bsd_pre/scPDB_fold1/epoch=32-step=13199.ckpt
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--- a/logs/ablation_aug/bsd_pre/scPDB_fold1/epoch=32-step=13199.ckpt
+++ /dev/null
@@ -1,3 +0,0 @@
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diff --git a/logs/ablation_aug/bsd_pre/scPDB_fold1/metrics.csv b/logs/ablation_aug/bsd_pre/scPDB_fold1/metrics.csv
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index be8bd0977dc9bda110cac226ce8602dff3f805e4..0000000000000000000000000000000000000000
--- a/logs/ablation_aug/bsd_pre/scPDB_fold1/metrics.csv
+++ /dev/null
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index 3a14f86b2e60a253230af9342fa5dfa8d0515970..0000000000000000000000000000000000000000
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\ No newline at end of file
diff --git a/logs/ablation_aug/bsd_pre/scPDB_fold2/command.txt b/logs/ablation_aug/bsd_pre/scPDB_fold2/command.txt
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\ No newline at end of file
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\ No newline at end of file
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diff --git a/logs/ablation_aug/bsd_pre/scPDB_fold2/train_config.json b/logs/ablation_aug/bsd_pre/scPDB_fold2/train_config.json
deleted file mode 100644
index 3a14f86b2e60a253230af9342fa5dfa8d0515970..0000000000000000000000000000000000000000
--- a/logs/ablation_aug/bsd_pre/scPDB_fold2/train_config.json
+++ /dev/null
@@ -1 +0,0 @@
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\ No newline at end of file
diff --git a/logs/ablation_aug/bsd_pre/scPDB_fold3/command.txt b/logs/ablation_aug/bsd_pre/scPDB_fold3/command.txt
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index 51076d2d78a7c15d01bb674467a4f76e0b25064c..0000000000000000000000000000000000000000
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\ No newline at end of file
diff --git a/logs/ablation_aug/bsd_pre/scPDB_fold3/dataset_config.json b/logs/ablation_aug/bsd_pre/scPDB_fold3/dataset_config.json
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+++ /dev/null
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-{"trn": {"dataset": "scPDB", "CA_within": 17, "type": "pocket", "fold": 3, "seq_based": false, "only_positive_pockets": false, "output_pocket_label": false, "mode": "train", "num_samples": 1600, "grid_rotation": null, "frame_rotation": null, "rdo": null, "af_aug": {"use": false, "prefix": "", "distilled_by": null}}, "val": {"dataset": "scPDB", "CA_within": 17, "type": "pocket", "fold": 3, "seq_based": false, "only_positive_pockets": false, "output_pocket_label": false, "mode": "dev", "num_samples": 512, "grid_rotation": null, "frame_rotation": null}}
\ No newline at end of file
diff --git a/logs/ablation_aug/bsd_pre/scPDB_fold3/epoch=47-step=19199.ckpt b/logs/ablation_aug/bsd_pre/scPDB_fold3/epoch=47-step=19199.ckpt
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diff --git a/logs/ablation_aug/bsd_pre/scPDB_fold3/train_config.json b/logs/ablation_aug/bsd_pre/scPDB_fold3/train_config.json
deleted file mode 100644
index 3a14f86b2e60a253230af9342fa5dfa8d0515970..0000000000000000000000000000000000000000
--- a/logs/ablation_aug/bsd_pre/scPDB_fold3/train_config.json
+++ /dev/null
@@ -1 +0,0 @@
-{"detection": false, "batch_size": 4, "epochs": 150, "stop_epoch": null, "num_workers": 8, "gpus": 4, "accumulate": 1, "scheduler": "cos", "scheduler_config": {"max_lr": 0.0001, "warmup_steps": 6000.0}, "max_num_decay": null}
\ No newline at end of file
diff --git a/logs/ablation_aug/bsd_pre/scPDB_fold4/command.txt b/logs/ablation_aug/bsd_pre/scPDB_fold4/command.txt
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index a70783845f59a588daba40b3939ed9bea83d3c63..0000000000000000000000000000000000000000
--- a/logs/ablation_aug/bsd_pre/scPDB_fold4/command.txt
+++ /dev/null
@@ -1 +0,0 @@
-python src/train/train_and_predict.py -e ablation_aug -f 4 -to 3 -nw 8
\ No newline at end of file
diff --git a/logs/ablation_aug/bsd_pre/scPDB_fold4/dataset_config.json b/logs/ablation_aug/bsd_pre/scPDB_fold4/dataset_config.json
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index 5b4444c0e7e1e5aaf74957ce0538278e7064662a..0000000000000000000000000000000000000000
--- a/logs/ablation_aug/bsd_pre/scPDB_fold4/dataset_config.json
+++ /dev/null
@@ -1 +0,0 @@
-{"trn": {"dataset": "scPDB", "CA_within": 17, "type": "pocket", "fold": 4, "seq_based": false, "only_positive_pockets": false, "output_pocket_label": false, "mode": "train", "num_samples": 1600, "grid_rotation": null, "frame_rotation": null, "rdo": null, "af_aug": {"use": false, "prefix": "", "distilled_by": null}}, "val": {"dataset": "scPDB", "CA_within": 17, "type": "pocket", "fold": 4, "seq_based": false, "only_positive_pockets": false, "output_pocket_label": false, "mode": "dev", "num_samples": 512, "grid_rotation": null, "frame_rotation": null}}
\ No newline at end of file
diff --git a/logs/ablation_aug/bsd_pre/scPDB_fold4/epoch=41-step=16799.ckpt b/logs/ablation_aug/bsd_pre/scPDB_fold4/epoch=41-step=16799.ckpt
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--- a/logs/ablation_aug/bsd_pre/scPDB_fold4/epoch=41-step=16799.ckpt
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--- a/logs/ablation_aug/bsd_pre/scPDB_fold4/last.ckpt
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--- a/logs/ablation_aug/bsd_pre/scPDB_fold4/metrics.csv
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diff --git a/logs/ablation_aug/bsd_pre/scPDB_fold4/train_config.json b/logs/ablation_aug/bsd_pre/scPDB_fold4/train_config.json
deleted file mode 100644
index 3a14f86b2e60a253230af9342fa5dfa8d0515970..0000000000000000000000000000000000000000
--- a/logs/ablation_aug/bsd_pre/scPDB_fold4/train_config.json
+++ /dev/null
@@ -1 +0,0 @@
-{"detection": false, "batch_size": 4, "epochs": 150, "stop_epoch": null, "num_workers": 8, "gpus": 4, "accumulate": 1, "scheduler": "cos", "scheduler_config": {"max_lr": 0.0001, "warmup_steps": 6000.0}, "max_num_decay": null}
\ No newline at end of file
diff --git a/logs/ablation_aug/bsd_pre/scPDB_fold5/command.txt b/logs/ablation_aug/bsd_pre/scPDB_fold5/command.txt
deleted file mode 100644
index 90a30672cf0c0eb2a152b68ebd82f0e39b696486..0000000000000000000000000000000000000000
--- a/logs/ablation_aug/bsd_pre/scPDB_fold5/command.txt
+++ /dev/null
@@ -1 +0,0 @@
-python src/train/train_and_predict.py -e ablation_aug -f 5 -to 3 -nw 8
\ No newline at end of file
diff --git a/logs/ablation_aug/bsd_pre/scPDB_fold5/dataset_config.json b/logs/ablation_aug/bsd_pre/scPDB_fold5/dataset_config.json
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index a7afd62574fc8e0dc49c774976bd8f6a9bb26eff..0000000000000000000000000000000000000000
--- a/logs/ablation_aug/bsd_pre/scPDB_fold5/dataset_config.json
+++ /dev/null
@@ -1 +0,0 @@
-{"trn": {"dataset": "scPDB", "CA_within": 17, "type": "pocket", "fold": 5, "seq_based": false, "only_positive_pockets": false, "output_pocket_label": false, "mode": "train", "num_samples": 1600, "grid_rotation": null, "frame_rotation": null, "rdo": null, "af_aug": {"use": false, "prefix": "", "distilled_by": null}}, "val": {"dataset": "scPDB", "CA_within": 17, "type": "pocket", "fold": 5, "seq_based": false, "only_positive_pockets": false, "output_pocket_label": false, "mode": "dev", "num_samples": 512, "grid_rotation": null, "frame_rotation": null}}
\ No newline at end of file
diff --git a/logs/ablation_aug/bsd_pre/scPDB_fold5/epoch=50-step=20399.ckpt b/logs/ablation_aug/bsd_pre/scPDB_fold5/epoch=50-step=20399.ckpt
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--- a/logs/ablation_aug/bsd_pre/scPDB_fold5/epoch=50-step=20399.ckpt
+++ /dev/null
@@ -1,3 +0,0 @@
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--- a/logs/ablation_aug/bsd_pre/scPDB_fold5/events.out.tfevents.1666037406.syn06.2748645.1
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@@ -1 +0,0 @@
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diff --git a/logs/ablation_aug/bsd_pre/scPDB_fold5/last.ckpt b/logs/ablation_aug/bsd_pre/scPDB_fold5/last.ckpt
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--- a/logs/ablation_aug/bsd_pre/scPDB_fold5/last.ckpt
+++ /dev/null
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--- a/logs/ablation_aug/bsd_pre/scPDB_fold5/metrics.csv
+++ /dev/null
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diff --git a/logs/ablation_aug/bsd_pre/scPDB_fold5/train_config.json b/logs/ablation_aug/bsd_pre/scPDB_fold5/train_config.json
deleted file mode 100644
index 3a14f86b2e60a253230af9342fa5dfa8d0515970..0000000000000000000000000000000000000000
--- a/logs/ablation_aug/bsd_pre/scPDB_fold5/train_config.json
+++ /dev/null
@@ -1 +0,0 @@
-{"detection": false, "batch_size": 4, "epochs": 150, "stop_epoch": null, "num_workers": 8, "gpus": 4, "accumulate": 1, "scheduler": "cos", "scheduler_config": {"max_lr": 0.0001, "warmup_steps": 6000.0}, "max_num_decay": null}
\ No newline at end of file
diff --git a/logs/casestudy/det/model_config.json b/logs/casestudy/det/model_config.json
deleted file mode 100644
index dbba8302b3d88d51c8df0efc1c11fd5c6b28f1c0..0000000000000000000000000000000000000000
--- a/logs/casestudy/det/model_config.json
+++ /dev/null
@@ -1 +0,0 @@
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\ No newline at end of file
diff --git a/logs/casestudy/det/scPDB_casestudy/command.txt b/logs/casestudy/det/scPDB_casestudy/command.txt
deleted file mode 100644
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--- a/logs/casestudy/det/scPDB_casestudy/command.txt
+++ /dev/null
@@ -1 +0,0 @@
-python src/train/bsp_train.py --experiment casestudy --version det --dataset scPDB --dataset_type pocket --detection --ca_radius 17 --rotate_grid --grid_rotation_cap 0.2 --frame_rotation_cap 0.1 --model ipa --model_ver mean/l1_cpos --num_workers 12 --batch 4 --lr 0.00001 --warmup 4000 --train_samples_per_epoch 1600 --scheduler cos --epochs 50 --total_gpus 4 --use_gpus 4 --seg_from_exp casestudy --seg_from_ver seg_both --seg_from_when best --rdo 0.1 --fold casestudy --freeze_seg_til 8000 --af_augment --af_lambda 1.0 --af_prefix t30_
\ No newline at end of file
diff --git a/logs/casestudy/det/scPDB_casestudy/dataset_config.json b/logs/casestudy/det/scPDB_casestudy/dataset_config.json
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+++ /dev/null
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-{"trn": {"dataset": "scPDB", "CA_within": 17, "type": "pocket", "fold": "casestudy", "seq_based": false, "only_positive_pockets": false, "output_pocket_label": true, "mode": "train", "num_samples": 1600, "grid_rotation": 0.2, "frame_rotation": 0.1, "rdo": 0.1, "af_aug": {"use": true, "prefix": "t30_", "distilled_by": null}}, "val": {"dataset": "scPDB", "CA_within": 17, "type": "pocket", "fold": "casestudy", "seq_based": false, "only_positive_pockets": false, "output_pocket_label": true, "mode": "dev", "num_samples": null, "grid_rotation": null, "frame_rotation": null}}
\ No newline at end of file
diff --git a/logs/casestudy/det/scPDB_casestudy/epoch=3-step=1599.ckpt b/logs/casestudy/det/scPDB_casestudy/epoch=3-step=1599.ckpt
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diff --git a/logs/casestudy/det/scPDB_casestudy/train_config.json b/logs/casestudy/det/scPDB_casestudy/train_config.json
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+++ /dev/null
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\ No newline at end of file
diff --git a/logs/casestudy/seg_both/model_config.json b/logs/casestudy/seg_both/model_config.json
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-{"model": "ipa", "model_config": {"ipa": {"num_layers": 3, "hidden_dim": 128, "inter_dim": 512, "dropout_p": 0.1, "num_heads": 12, "qk_dim": 16, "v_dim": 16, "num_qk_vec": 4, "num_v_vec": 8}}, "weight_from": null}
\ No newline at end of file
diff --git a/logs/casestudy/seg_both/scPDB_casestudy/command.txt b/logs/casestudy/seg_both/scPDB_casestudy/command.txt
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-python src/train/bsp_train.py --experiment casestudy --version seg_both --dataset scPDB --dataset_type pocket --ca_radius 17 --rotate_grid --grid_rotation_cap 0.2 --frame_rotation_cap 0.1 --model ipa --model_ver l3 --num_workers 12 --batch 4 --lr 0.0001 --warmup 6000 --train_samples_per_epoch 1600 --scheduler cos --epochs 150 --total_gpus 4 --use_gpus 4 --af_augment --af_lambda 1.0 --fold casestudy --rdo 0.1 --af_prefix t30_
\ No newline at end of file
diff --git a/logs/casestudy/seg_both/scPDB_casestudy/dataset_config.json b/logs/casestudy/seg_both/scPDB_casestudy/dataset_config.json
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+++ /dev/null
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-{"trn": {"dataset": "scPDB", "CA_within": 17, "type": "pocket", "fold": "casestudy", "seq_based": false, "only_positive_pockets": false, "output_pocket_label": false, "mode": "train", "num_samples": 1600, "grid_rotation": 0.2, "frame_rotation": 0.1, "rdo": 0.1, "af_aug": {"use": true, "prefix": "t30_", "distilled_by": null}}, "val": {"dataset": "scPDB", "CA_within": 17, "type": "pocket", "fold": "casestudy", "seq_based": false, "only_positive_pockets": false, "output_pocket_label": false, "mode": "dev", "num_samples": null, "grid_rotation": null, "frame_rotation": null}}
\ No newline at end of file
diff --git a/logs/casestudy/seg_both/scPDB_casestudy/epoch=38-step=15599.ckpt b/logs/casestudy/seg_both/scPDB_casestudy/epoch=38-step=15599.ckpt
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diff --git a/logs/casestudy/seg_both/scPDB_casestudy/last.ckpt b/logs/casestudy/seg_both/scPDB_casestudy/last.ckpt
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diff --git a/logs/casestudy/seg_both/scPDB_casestudy/metrics.csv b/logs/casestudy/seg_both/scPDB_casestudy/metrics.csv
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diff --git a/logs/casestudy/seg_both/scPDB_casestudy/train_config.json b/logs/casestudy/seg_both/scPDB_casestudy/train_config.json
deleted file mode 100644
index 9cc6a42af9f8c16937d63e839d0c7006a49b58ca..0000000000000000000000000000000000000000
--- a/logs/casestudy/seg_both/scPDB_casestudy/train_config.json
+++ /dev/null
@@ -1 +0,0 @@
-{"detection": false, "batch_size": 4, "epochs": 150, "stop_epoch": null, "num_workers": 12, "gpus": 4, "accumulate": 1, "scheduler": "cos", "scheduler_config": {"max_lr": 0.0001, "warmup_steps": 6000.0}, "max_num_decay": null, "af_lambda": 1.0, "af_lambda_warmup": 6000.0}
\ No newline at end of file
diff --git a/logs/casestudy/seg_positive/model_config.json b/logs/casestudy/seg_positive/model_config.json
deleted file mode 100644
index dd748623180a8b664981cd82a44da9f50bf77e76..0000000000000000000000000000000000000000
--- a/logs/casestudy/seg_positive/model_config.json
+++ /dev/null
@@ -1 +0,0 @@
-{"model": "ipa", "model_config": {"ipa": {"num_layers": 3, "hidden_dim": 128, "inter_dim": 512, "dropout_p": 0.1, "num_heads": 12, "qk_dim": 16, "v_dim": 16, "num_qk_vec": 4, "num_v_vec": 8}}, "weight_from": null}
\ No newline at end of file
diff --git a/logs/casestudy/seg_positive/scPDB_casestudy/command.txt b/logs/casestudy/seg_positive/scPDB_casestudy/command.txt
deleted file mode 100644
index ce77d7d330a11cdee25c74740a226fa67f04092e..0000000000000000000000000000000000000000
--- a/logs/casestudy/seg_positive/scPDB_casestudy/command.txt
+++ /dev/null
@@ -1 +0,0 @@
-python src/train/bsp_train.py --experiment casestudy --version seg_positive --dataset scPDB --dataset_type pocket --ca_radius 17 --rotate_grid --grid_rotation_cap 0.2 --frame_rotation_cap 0.1 --model ipa --model_ver l3 --num_workers 12 --batch 4 --lr 0.0001 --warmup 6000 --train_samples_per_epoch 1600 --scheduler cos --epochs 150 --total_gpus 4 --use_gpus 4 --af_augment --af_lambda 1.0 --only_positive_pockets --fold casestudy --rdo 0.1 --stop_epoch 100 --af_prefix t30_
\ No newline at end of file
diff --git a/logs/casestudy/seg_positive/scPDB_casestudy/dataset_config.json b/logs/casestudy/seg_positive/scPDB_casestudy/dataset_config.json
deleted file mode 100644
index 7466ddd422ba967b68dbca68b2ab5c9df949a587..0000000000000000000000000000000000000000
--- a/logs/casestudy/seg_positive/scPDB_casestudy/dataset_config.json
+++ /dev/null
@@ -1 +0,0 @@
-{"trn": {"dataset": "scPDB", "CA_within": 17, "type": "pocket", "fold": "casestudy", "seq_based": false, "only_positive_pockets": true, "output_pocket_label": false, "mode": "train", "num_samples": 1600, "grid_rotation": 0.2, "frame_rotation": 0.1, "rdo": 0.1, "af_aug": {"use": true, "prefix": "t30_", "distilled_by": null}}, "val": {"dataset": "scPDB", "CA_within": 17, "type": "pocket", "fold": "casestudy", "seq_based": false, "only_positive_pockets": true, "output_pocket_label": false, "mode": "dev", "num_samples": null, "grid_rotation": null, "frame_rotation": null}}
\ No newline at end of file
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