Update README.md
Browse filesupdate val dataset sizes
README.md
CHANGED
@@ -54,21 +54,20 @@ Models were evaluated on a ~1M subset for training efficiency. We provide that s
|
|
54 |
**_NOTE:_** The original validation sets contained a duplicated structures. Corrected validation sets were uploaded on 20/12/24. Please see this [issue](https://github.com/FAIR-Chem/fairchem/issues/942)
|
55 |
for more details, an re-download the correct version of the validation sets if needed.
|
56 |
|
57 |
-
|
58 |
| Sub-dataset | Size | Download |
|
59 |
| :-----: | :--: | :------: |
|
60 |
-
| rattled-1000 |
|
61 |
-
| rattled-1000-subsampled |
|
62 |
-
| rattled-500 |
|
63 |
-
| rattled-500-subsampled |
|
64 |
-
| rattled-300 |
|
65 |
-
| rattled-300-subsampled |
|
66 |
-
| aimd-from-PBE-1000-npt |
|
67 |
-
| aimd-from-PBE-1000-nvt |
|
68 |
-
| aimd-from-PBE-3000-npt |
|
69 |
-
| aimd-from-PBE-3000-nvt |
|
70 |
-
| rattled-relax |
|
71 |
-
| Total | 1,
|
72 |
|
73 |
### sAlex Dataset
|
74 |
We also provide the sAlex dataset used for fine-tuning of our OMat models. sAlex is a subsampled, Matbench-Discovery compliant, version of the original [Alexandria](https://alexandria.icams.rub.de/).
|
|
|
54 |
**_NOTE:_** The original validation sets contained a duplicated structures. Corrected validation sets were uploaded on 20/12/24. Please see this [issue](https://github.com/FAIR-Chem/fairchem/issues/942)
|
55 |
for more details, an re-download the correct version of the validation sets if needed.
|
56 |
|
|
|
57 |
| Sub-dataset | Size | Download |
|
58 |
| :-----: | :--: | :------: |
|
59 |
+
| rattled-1000 | 117,004 | [rattled-1000.tar.gz](https://dl.fbaipublicfiles.com/opencatalystproject/data/omat/241220/omat/val/rattled-1000.tar.gz) |
|
60 |
+
| rattled-1000-subsampled | 39,785 | [rattled-1000-subsampled.tar.gz](https://dl.fbaipublicfiles.com/opencatalystproject/data/omat/241220/omat/val/rattled-1000-subsampled.tar.gz) |
|
61 |
+
| rattled-500 | 71,522 | [rattled-500.tar.gz](https://dl.fbaipublicfiles.com/opencatalystproject/data/omat/241220/omat/val/rattled-500.tar.gz) |
|
62 |
+
| rattled-500-subsampled | 41,021 | [rattled-500-subsampled.tar.gz](https://dl.fbaipublicfiles.com/opencatalystproject/data/omat/241220/omat/val/rattled-500-subsampled.tar.gz) |
|
63 |
+
| rattled-300 | 65,235 | [rattled-300.tar.gz](https://dl.fbaipublicfiles.com/opencatalystproject/data/omat/241220/omat/val/rattled-300.tar.gz) |
|
64 |
+
| rattled-300-subsampled | 35,579 | [rattled-300-subsampled.tar.gz](https://dl.fbaipublicfiles.com/opencatalystproject/data/omat/241220/omat/val/rattled-300-subsampled.tar.gz) |
|
65 |
+
| aimd-from-PBE-1000-npt | 212,737 | [aimd-from-PBE-1000-npt.tar.gz](https://dl.fbaipublicfiles.com/opencatalystproject/data/omat/241220/omat/val/aimd-from-PBE-1000-npt.tar.gz) |
|
66 |
+
| aimd-from-PBE-1000-nvt | 205,165 | [aimd-from-PBE-1000-nvt.tar.gz](https://dl.fbaipublicfiles.com/opencatalystproject/data/omat/241220/omat/val/aimd-from-PBE-1000-nvt.tar.gz) |
|
67 |
+
| aimd-from-PBE-3000-npt | 62,130 | [aimd-from-PBE-3000-npt.tar.gz](https://dl.fbaipublicfiles.com/opencatalystproject/data/omat/241220/omat/val/aimd-from-PBE-3000-npt.tar.gz) |
|
68 |
+
| aimd-from-PBE-3000-nvt | 79,977 | [aimd-from-PBE-3000-nvt.tar.gz](https://dl.fbaipublicfiles.com/opencatalystproject/data/omat/241220/omat/val/aimd-from-PBE-3000-nvt.tar.gz) |
|
69 |
+
| rattled-relax | 95,206 | [rattled-relax.tar.gz](https://dl.fbaipublicfiles.com/opencatalystproject/data/omat/241220/omat/val/rattled-relax.tar.gz) |
|
70 |
+
| Total | 1,025,361 | - |
|
71 |
|
72 |
### sAlex Dataset
|
73 |
We also provide the sAlex dataset used for fine-tuning of our OMat models. sAlex is a subsampled, Matbench-Discovery compliant, version of the original [Alexandria](https://alexandria.icams.rub.de/).
|