Upload dataset

README.md

@@ -12,6 +12,44 @@ tags:
 - vdw
 - valence
 - chemistry
+configs:
+- config_name: metadata
+  data_files:
+  - split: train
+    path: metadata/train-*
+dataset_info:
+  config_name: metadata
+  features:
+  - name: OMol25_data_id
+    dtype: string
+  - name: OMol25_id
+    dtype: int64
+  - name: OMol25_split
+    dtype: string
+  - name: OpenFF_id
+    dtype: int64
+  - name: formula
+    dtype: string
+  - name: charge
+    dtype: int64
+  - name: OpenFF_Elements
+    dtype: bool
+  - name: OpenFF_abs(q)<=1
+    dtype: bool
+  - name: OpenFF_spin=1
+    dtype: bool
+  - name: smiles
+    dtype: string
+  - name: source
+    dtype: string
+  - name: lowdin_charges
+    list: float64
+  splits:
+  - name: train
+    num_bytes: 1323994687
+    num_examples: 1956538
+  download_size: 725442298
+  dataset_size: 1323994687
 ---
 
 # Dataset Card for Meta-OMol25 Descent Formatted SPICE v1.0

metadata/train-00000-of-00003.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:db49b44bb7146c5c733efeb1cd59b2fb7ee8f7a5c6cf06ae3bb9e03eebab5274
+size 243505268

metadata/train-00001-of-00003.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:d168a8a7518e02aeaab8b7efa3d7ee8be3767d05f0e371f8243053c544471f11
+size 241638771

metadata/train-00002-of-00003.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:8f553c979ebf2fd6038884e6b2b962e630f96e193717cb391797c2ce4c744f0a
+size 240298259