Upload dataset

README.md

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+---
+dataset_info:
+  features:
+  - name: smiles
+    dtype: string
+  - name: zinc_id
+    dtype: int32
+  - name: inchikey
+    dtype: string
+  - name: mwt
+    dtype: float64
+  - name: logp
+    dtype: float64
+  - name: reactive
+    dtype: int32
+  - name: purchasable
+    dtype: int32
+  - name: tranche_name
+    dtype: string
+  - name: features
+    dtype: string
+  - name: canonsmiles
+    dtype: string
+  - name: isSmilesEqual
+    dtype: bool
+  - name: generic_scaffold
+    dtype: string
+  - name: scaffold
+    dtype: string
+  - name: rdkit_WT
+    dtype: float64
+  - name: rdkit_MR
+    dtype: float64
+  - name: rdkit_LogP
+    dtype: float64
+  - name: rdkit_HA
+    dtype: float64
+  - name: rdkit_HD
+    dtype: float64
+  splits:
+  - name: test
+    num_bytes: 2323161
+    num_examples: 7764
+  download_size: 1261629
+  dataset_size: 2323161
+configs:
+- config_name: default
+  data_files:
+  - split: test
+    path: data/test-*
+---

data/test-00000-of-00001.parquet

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+version https://git-lfs.github.com/spec/v1
+oid sha256:c828b1565a94dbc8d0b37cf49f09dea17ad4002f5ec24cfe987d63701132acf8
+size 1261629