Upload dataset

README.md

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+---
+dataset_info:
+  features:
+  - name: SMILES
+    dtype: string
+  - name: Deep SMILES
+    dtype: string
+  - name: SELFIES
+    dtype: string
+  - name: SAFE
+    dtype: string
+  - name: Albuterol_Similarity
+    dtype: float64
+  - name: Amlodipine_MPO
+    dtype: float64
+  - name: Celecoxib_Rediscovery
+    dtype: float64
+  - name: Deco Hop
+    dtype: float64
+  - name: DRD2
+    dtype: float64
+  - name: Fexofenadine_MPO
+    dtype: float64
+  - name: GSK3B
+    dtype: float64
+  - name: Isomers_C7H8N2O2
+    dtype: float64
+  - name: Isomers_C9H10N2O2PF2Cl
+    dtype: float64
+  - name: JNK3
+    dtype: float64
+  - name: Median 1
+    dtype: float64
+  - name: Median 2
+    dtype: float64
+  - name: Mestranol_Similarity
+    dtype: float64
+  - name: Osimertinib_MPO
+    dtype: float64
+  - name: Perindopril_MPO
+    dtype: float64
+  - name: Ranolazine_MPO
+    dtype: float64
+  - name: Scaffold Hop
+    dtype: float64
+  - name: Sitagliptin_MPO
+    dtype: float64
+  - name: Thiothixene_Rediscovery
+    dtype: float64
+  - name: Troglitazone_Rediscovery
+    dtype: float64
+  - name: Valsartan_SMARTS
+    dtype: float64
+  - name: Zaleplon_MPO
+    dtype: float64
+  splits:
+  - name: train
+    num_bytes: 113258934
+    num_examples: 224397
+  download_size: 62093532
+  dataset_size: 113258934
+configs:
+- config_name: default
+  data_files:
+  - split: train
+    path: data/train-*
+---

data/train-00000-of-00001.parquet

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+oid sha256:9f5d17c9d87de71950ef511253cf2c86e0be98d52b0b811b4c0968f48253d893
+size 62093532