Upload dataset

README.md

@@ -1,17 +1,55 @@
 ---
 license: cc-by-4.0
 language:
-  - en
+- en
 size_categories:
-  - 1M<n<10M
+- 1M<n<10M
 pretty_name: Meta-OMol25 Descent Formatted ANI2X v1.0
 tags:
-  - openff
-  - molecular-mechanics
-  - force-field
-  - vdw
-  - valence
-  - chemistry
+- openff
+- molecular-mechanics
+- force-field
+- vdw
+- valence
+- chemistry
+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: 3018911478
+    num_examples: 9323426
+  download_size: 1632616300
+  dataset_size: 3018911478
+configs:
+- config_name: metadata
+  data_files:
+  - split: train
+    path: metadata/train-*
 ---
 
 

metadata/train-00000-of-00007.parquet

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+size 243818908

metadata/train-00001-of-00007.parquet

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metadata/train-00002-of-00007.parquet

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metadata/train-00006-of-00007.parquet

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