metadata
dataset_info:
features:
- name: smiles
dtype: string
- name: zinc_id
dtype: int64
- name: inchikey
dtype: string
- name: mwt
dtype: float64
- name: logp
dtype: float64
- name: reactive
dtype: int64
- name: purchasable
dtype: int64
- name: tranche_name
dtype: string
- name: features
dtype: string
- name: canonsmiles
dtype: string
- name: isSmilesEqual
dtype: bool
- name: generic_scaffold
dtype: string
- name: scaffold
dtype: string
- name: rdkit_WT
dtype: float64
- name: rdkit_MR
dtype: float64
- name: rdkit_LogP
dtype: float64
- name: rdkit_HA
dtype: float64
- name: rdkit_HD
dtype: float64
splits:
- name: test
num_bytes: 2587127
num_examples: 8330
download_size: 1372074
dataset_size: 2587127
configs:
- config_name: default
data_files:
- split: test
path: data/test-*