README.md

---
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-*
---