Upload dataset

README.md

@@ -0,0 +1,53 @@
+---
+dataset_info:
+  features:
+  - name: smiles
+    dtype: string
+  - name: scaffold_smiles
+    dtype: string
+  - name: selfies
+    dtype: string
+  - name: scaffold_selfies
+    dtype: string
+  - name: QED
+    dtype: float64
+  - name: DockingScore
+    dtype: float64
+  - name: sa
+    dtype: float64
+  - name: norm_sa
+    dtype: float64
+  - name: sol
+    dtype: float64
+  - name: norm_sol
+    dtype: float64
+  - name: qed
+    dtype: float64
+  - name: dock
+    dtype: float64
+  - name: norm_dock
+    dtype: float64
+  - name: split_min
+    sequence: int64
+  - name: split_std
+    sequence: int64
+  - name: overlap_p1
+    dtype: string
+  - name: overlap_p2
+    dtype: string
+  - name: seperate_p1
+    dtype: string
+  - name: seperate_p2
+    dtype: string
+  splits:
+  - name: train
+    num_bytes: 801823
+    num_examples: 1280
+  download_size: 350585
+  dataset_size: 801823
+configs:
+- config_name: default
+  data_files:
+  - split: train
+    path: data/train-*
+---

data/train-00000-of-00001.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:97da5219ca34a4f7f578febd62cf4b42d7003597351798ed8b2d888f9d3e8678
+size 350585