Upload dataset

README.md

@@ -0,0 +1,49 @@
+---
+dataset_info:
+  features:
+  - name: sid
+    dtype: string
+  - name: fid
+    dtype: string
+  - name: reference_energy
+    dtype: float64
+  - name: num_atoms
+    dtype: int64
+  - name: atomic_numbers
+    sequence: int64
+  - name: pos
+    sequence:
+      sequence: float32
+  - name: energy
+    dtype: float64
+  - name: forces
+    sequence:
+      sequence: float32
+  - name: cell
+    dtype:
+      array2_d:
+        shape:
+        - 3
+        - 3
+        dtype: float32
+  - name: fixed
+    sequence: bool
+  - name: tags
+    sequence: int32
+  splits:
+  - name: train
+    num_bytes: 67125.70516
+    num_examples: 20
+  - name: validation
+    num_bytes: 67125.70516
+    num_examples: 20
+  download_size: 101774
+  dataset_size: 134251.41032
+configs:
+- config_name: default
+  data_files:
+  - split: train
+    path: data/train-*
+  - split: validation
+    path: data/validation-*
+---

data/train-00000-of-00001.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:7a5a43c30f3f81b2f08b97b137c8bd971e2945d7379f1e2895864c2dad91a2ea
+size 50887

data/validation-00000-of-00001.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:7a5a43c30f3f81b2f08b97b137c8bd971e2945d7379f1e2895864c2dad91a2ea
+size 50887