Upload dataset

README.md

@@ -1,3 +1,40 @@
+---
+configs:
+- config_name: default
+  data_files:
+  - split: orb_direct_20
+    path: data/orb_direct_20-*
+dataset_info:
+  features:
+  - name: immutable_id
+    dtype: string
+  - name: energy
+    dtype: float32
+  - name: nsites
+    dtype: int32
+  - name: species_at_sites
+    sequence: string
+  - name: e_above_hull
+    dtype: float64
+  - name: true_energy
+    dtype: float64
+  - name: orb_direct_20_energy
+    dtype: float32
+  - name: orb_conserv_inf_energy
+    dtype: float32
+  - name: uma_energy
+    dtype: float32
+  - name: mace_mp_energy
+    dtype: float32
+  - name: mace_omat_energy
+    dtype: float32
+  splits:
+  - name: orb_direct_20
+    num_bytes: 24528166
+    num_examples: 163735
+  download_size: 10629137
+  dataset_size: 24528166
+---
 # LeMat-Bulk MLIP Hull Reference Datasets
 
 This dataset contains materials close to the convex hull computed using various ML interatomic potentials (MLIPs).

data/orb_direct_20-00000-of-00001.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:e817d7bfc3a302700ac89ebc5888d1e0fefca6c96a568de35fd5ea7fc929b8da
+size 10629137