Upload Simeonov2008 dataset

README.md

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+---
+dataset_info:
+  features:
+  - name: AID
+    dtype: int64
+  - name: CID
+    dtype: int64
+  - name: SMILES
+    dtype: string
+  - name: InChI
+    dtype: string
+  - name: InChIKey
+    dtype: string
+  - name: SMILES_sanitized
+    dtype: string
+  splits:
+  - name: train
+    num_bytes: 1784959
+    num_examples: 6398
+  - name: test
+    num_bytes: 198359
+    num_examples: 711
+  - name: full
+    num_bytes: 1983319
+    num_examples: 7109
+  download_size: 2007452
+  dataset_size: 3966637
+configs:
+- config_name: default
+  data_files:
+  - split: train
+    path: data/train-*
+  - split: test
+    path: data/test-*
+  - split: full
+    path: data/full-*
+---

data/full-00000-of-00001.parquet

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+size 972427

data/test-00000-of-00001.parquet

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+oid sha256:fc3ddf421932aa3def24284ace6e9dc0b26ddcb9363a8ee2bbc79ddd03dff0da
+size 110467

data/train-00000-of-00001.parquet

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+size 924558