Upload dataset
Browse files- README.md +126 -4
- data/train-00000-of-00001.parquet +2 -2
README.md
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---
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dataset_info:
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features:
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- name: smiles
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dtype: string
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-
- name:
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dtype: float64
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- name: ADRB1
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dtype: float64
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- name: PGR
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dtype: float64
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- name: PPARA
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dtype: float64
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- name: PPARG
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dtype: float64
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splits:
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- name: train
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-
num_bytes:
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num_examples: 260155
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-
download_size:
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-
dataset_size:
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configs:
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- config_name: default
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data_files:
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---
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dataset_info:
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features:
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+
- name: inchikey
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dtype: string
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- name: smiles
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dtype: string
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- name: PPARD
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dtype: float64
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- name: ABL1
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dtype: float64
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- name: ADAM17
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dtype: float64
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- name: ADRB1
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dtype: float64
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- name: ADRB2
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dtype: float64
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- name: AKT2
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dtype: float64
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- name: MAOB
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dtype: float64
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- name: CASP3
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dtype: float64
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- name: DHFR
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dtype: float64
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- name: ESR2
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dtype: float64
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- name: PTK2
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dtype: float64
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- name: FGFR1
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dtype: float64
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- name: HMGCR
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dtype: float64
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- name: HSP90AA1
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dtype: float64
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- name: KIT
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dtype: float64
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- name: MAPKAPK2
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dtype: float64
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- name: MAP2K1
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dtype: float64
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- name: NOS1
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dtype: float64
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- name: PARP1
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dtype: float64
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- name: PDE5A
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dtype: float64
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- name: PGR
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dtype: float64
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- name: PTPN1
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dtype: float64
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- name: ROCK1
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dtype: float64
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- name: AKT1
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dtype: float64
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- name: AR
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dtype: float64
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- name: CDK2
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dtype: float64
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- name: CSF1R
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dtype: float64
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- name: ESR1
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dtype: float64
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- name: NR3C1
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dtype: float64
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- name: IGF1R
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dtype: float64
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- name: JAK2
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dtype: float64
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- name: LCK
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dtype: float64
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- name: MET
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dtype: float64
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- name: MMP13
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dtype: float64
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- name: PTGS2
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dtype: float64
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- name: PPARA
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dtype: float64
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- name: PPARG
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dtype: float64
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- name: REN
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dtype: float64
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- name: ADORA2A
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dtype: float64
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- name: ACHE
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dtype: float64
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- name: BACE1
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dtype: float64
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- name: CA2
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dtype: float64
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- name: CYP2C9
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dtype: float64
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- name: CYP3A4
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dtype: float64
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- name: HSD11B1
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dtype: float64
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- name: DPP4
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dtype: float64
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- name: DRD2
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dtype: float64
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- name: DRD3
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dtype: float64
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- name: EGFR
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dtype: float64
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- name: F10
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dtype: float64
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- name: GBA
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dtype: float64
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- name: MAPK1
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dtype: float64
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- name: MAPK14
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dtype: float64
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- name: PLK1
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dtype: float64
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- name: SRC
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dtype: float64
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- name: THRB
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dtype: float64
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- name: F2
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dtype: float64
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- name: KDR
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dtype: float64
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- name: qed
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dtype: float64
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- name: ADRB1_vina
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dtype: float64
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- name: PGR_vina
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dtype: float64
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- name: PPARA_vina
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dtype: float64
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- name: PPARG_vina
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dtype: float64
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- name: CDK2_vina
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dtype: float64
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- name: F2_vina
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dtype: float64
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splits:
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- name: train
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+
num_bytes: 159201059
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num_examples: 260155
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+
download_size: 49500678
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+
dataset_size: 159201059
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| 144 |
configs:
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| 145 |
- config_name: default
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| 146 |
data_files:
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data/train-00000-of-00001.parquet
CHANGED
|
@@ -1,3 +1,3 @@
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|
| 1 |
version https://git-lfs.github.com/spec/v1
|
| 2 |
-
oid sha256:
|
| 3 |
-
size
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| 1 |
version https://git-lfs.github.com/spec/v1
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+
oid sha256:f5068fc7180f92362490a54486b255d47195e9677b9564b232cf6cd44f8fcdad
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+
size 49500678
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