README.md

---
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-*
---