metadata
dataset_info:
features:
- name: inchikey
dtype: string
- name: smiles
dtype: string
- name: PPARD
dtype: float64
- name: ABL1
dtype: float64
- name: ADAM17
dtype: float64
- name: ADRB1
dtype: float64
- name: ADRB2
dtype: float64
- name: AKT2
dtype: float64
- name: MAOB
dtype: float64
- name: CASP3
dtype: float64
- name: DHFR
dtype: float64
- name: ESR2
dtype: float64
- name: PTK2
dtype: float64
- name: FGFR1
dtype: float64
- name: HMGCR
dtype: float64
- name: HSP90AA1
dtype: float64
- name: KIT
dtype: float64
- name: MAPKAPK2
dtype: float64
- name: MAP2K1
dtype: float64
- name: NOS1
dtype: float64
- name: PARP1
dtype: float64
- name: PDE5A
dtype: float64
- name: PGR
dtype: float64
- name: PTPN1
dtype: float64
- name: ROCK1
dtype: float64
- name: AKT1
dtype: float64
- name: AR
dtype: float64
- name: CDK2
dtype: float64
- name: CSF1R
dtype: float64
- name: ESR1
dtype: float64
- name: NR3C1
dtype: float64
- name: IGF1R
dtype: float64
- name: JAK2
dtype: float64
- name: LCK
dtype: float64
- name: MET
dtype: float64
- name: MMP13
dtype: float64
- name: PTGS2
dtype: float64
- name: PPARA
dtype: float64
- name: PPARG
dtype: float64
- name: REN
dtype: float64
- name: ADORA2A
dtype: float64
- name: ACHE
dtype: float64
- name: BACE1
dtype: float64
- name: CA2
dtype: float64
- name: CYP2C9
dtype: float64
- name: CYP3A4
dtype: float64
- name: HSD11B1
dtype: float64
- name: DPP4
dtype: float64
- name: DRD2
dtype: float64
- name: DRD3
dtype: float64
- name: EGFR
dtype: float64
- name: F10
dtype: float64
- name: GBA
dtype: float64
- name: MAPK1
dtype: float64
- name: MAPK14
dtype: float64
- name: PLK1
dtype: float64
- name: SRC
dtype: float64
- name: THRB
dtype: float64
- name: F2
dtype: float64
- name: KDR
dtype: float64
- name: qed
dtype: float64
splits:
- name: train
num_bytes: 146709994
num_examples: 260155
download_size: 34759778
dataset_size: 146709994
configs:
- config_name: default
data_files:
- split: train
path: data/train-*