Upload dataset

README.md

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+---
+dataset_info:
+  config_name: chempile-xtra
+  features:
+  - name: SMILES
+    dtype: string
+  - name: pIC50
+    dtype: float64
+  - name: BACE_inhibition
+    dtype: int64
+  - name: split
+    dtype: string
+  - name: IMAGE
+    dtype: string
+  - name: SELFIES
+    dtype: string
+  - name: InChI
+    dtype: string
+  - name: IUPAC
+    dtype: string
+  - name: __index_level_0__
+    dtype: int64
+  splits:
+  - name: train
+    num_bytes: 20861584
+    num_examples: 1142
+  - name: valid
+    num_bytes: 4335178
+    num_examples: 253
+  - name: test
+    num_bytes: 2247389
+    num_examples: 118
+  download_size: 26799403
+  dataset_size: 27444151
+configs:
+- config_name: chempile-xtra
+  data_files:
+  - split: train
+    path: chempile-xtra/train-*
+  - split: valid
+    path: chempile-xtra/valid-*
+  - split: test
+    path: chempile-xtra/test-*
+---

chempile-xtra/test-00000-of-00001.parquet

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+version https://git-lfs.github.com/spec/v1
+oid sha256:06bc24c043a89c67c2c2600dd882d151ebccaea8e94d8fc09e6d1db5bf91eddf
+size 2204655

chempile-xtra/train-00000-of-00001.parquet

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+oid sha256:15954b79e8d80b901c23db698febc8d332760a495616b0bdc941b4c2011b53d8
+size 20360590

chempile-xtra/valid-00000-of-00001.parquet

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+version https://git-lfs.github.com/spec/v1
+oid sha256:a34909fea04d42e310b401881f8dd09032528dc4654f4e42b4dbe22b7ff4b331
+size 4234158