Datasets:
metadata
dataset_info:
- config_name: DC50
features:
- name: SMILES
dtype: string
- name: POI_Name
dtype: string
- name: POI_Sequence
dtype: string
- name: Ligase_Name
dtype: string
- name: Cell_Line
dtype: string
- name: Value_Type
dtype: string
- name: Value_Unit
dtype: string
- name: Value
dtype: float64
- name: Value_Error
dtype: float64
- name: Value_Range_Min
dtype: float64
- name: Value_Range_Max
dtype: float64
- name: Value_Concentration
dtype: float64
- name: Assay_Time
dtype: float64
- name: Value_Operator
dtype: string
- name: Value_Category
dtype: string
- name: Value_Concentration_Unit
dtype: string
- name: Modality
dtype: string
- name: POI_UniProt
dtype: string
- name: Ligase_UniProt
dtype: string
- name: Ligase_Sequence
dtype: string
- name: Cell_Line_ID
dtype: string
- name: Cell_Line_Species
dtype: string
- name: Reference
dtype: string
- name: Description
dtype: string
- name: Database
dtype: string
- name: Assay
dtype: string
- name: TPD_ID
dtype: string
- name: POI_Cluster
dtype: int64
- name: SMILES_Held_Out
dtype: bool
- name: SMILES_Scaffold_Cluster
dtype: int64
- name: SMILES_Butina_Cluster
dtype: int64
splits:
- name: train
num_bytes: 14046158
num_examples: 4184
download_size: 574242
dataset_size: 14046158
- config_name: Dmax
features:
- name: SMILES
dtype: string
- name: POI_Name
dtype: string
- name: POI_Sequence
dtype: string
- name: Ligase_Name
dtype: string
- name: Cell_Line
dtype: string
- name: Value_Type
dtype: string
- name: Value_Unit
dtype: string
- name: Value
dtype: float64
- name: Value_Error
dtype: float64
- name: Value_Range_Min
dtype: float64
- name: Value_Range_Max
dtype: float64
- name: Value_Concentration
dtype: float64
- name: Assay_Time
dtype: float64
- name: Value_Operator
dtype: string
- name: Value_Category
dtype: string
- name: Value_Concentration_Unit
dtype: string
- name: Modality
dtype: string
- name: POI_UniProt
dtype: string
- name: Ligase_UniProt
dtype: string
- name: Ligase_Sequence
dtype: string
- name: Cell_Line_ID
dtype: string
- name: Cell_Line_Species
dtype: string
- name: Reference
dtype: string
- name: Description
dtype: string
- name: Database
dtype: string
- name: Assay
dtype: string
- name: TPD_ID
dtype: string
- name: POI_Cluster
dtype: int64
- name: SMILES_Held_Out
dtype: bool
- name: SMILES_Scaffold_Cluster
dtype: int64
- name: SMILES_Butina_Cluster
dtype: int64
splits:
- name: train
num_bytes: 7751718
num_examples: 2377
download_size: 316126
dataset_size: 7751718
- config_name: default
features:
- name: SMILES
dtype: string
- name: POI_Name
dtype: string
- name: POI_Sequence
dtype: string
- name: Ligase_Name
dtype: string
- name: Cell_Line
dtype: string
- name: Value_Type
dtype: string
- name: Value_Unit
dtype: string
- name: Value
dtype: float64
- name: Value_Error
dtype: float64
- name: Value_Range_Min
dtype: float64
- name: Value_Range_Max
dtype: float64
- name: Value_Concentration
dtype: float64
- name: Assay_Time
dtype: float64
- name: Value_Operator
dtype: string
- name: Value_Category
dtype: string
- name: Value_Concentration_Unit
dtype: string
- name: Modality
dtype: string
- name: POI_UniProt
dtype: string
- name: Ligase_UniProt
dtype: string
- name: Ligase_Sequence
dtype: string
- name: Cell_Line_ID
dtype: string
- name: Cell_Line_Species
dtype: string
- name: Reference
dtype: string
- name: Description
dtype: string
- name: Database
dtype: string
- name: Assay
dtype: string
- name: TPD_ID
dtype: string
- name: POI_Cluster
dtype: int64
- name: SMILES_Held_Out
dtype: bool
- name: SMILES_Scaffold_Cluster
dtype: int64
- name: SMILES_Butina_Cluster
dtype: int64
splits:
- name: train
num_bytes: 21797876
num_examples: 6561
download_size: 744106
dataset_size: 21797876
- config_name: multitask
features:
- name: SMILES
dtype: string
- name: POI_Name
dtype: string
- name: POI_Sequence
dtype: string
- name: Ligase_Name
dtype: string
- name: Cell_Line
dtype: string
- name: Value_Type_DC50
dtype: string
- name: Value_Unit_DC50
dtype: string
- name: Value_DC50
dtype: float64
- name: Value_Error_DC50
dtype: float64
- name: Value_Range_Min_DC50
dtype: float64
- name: Value_Range_Max_DC50
dtype: float64
- name: Value_Concentration_DC50
dtype: float64
- name: Assay_Time
dtype: float64
- name: Value_Operator_DC50
dtype: string
- name: Value_Category_DC50
dtype: string
- name: Value_Concentration_Unit_DC50
dtype: 'null'
- name: Modality
dtype: string
- name: POI_UniProt
dtype: string
- name: Ligase_UniProt
dtype: string
- name: Ligase_Sequence
dtype: string
- name: Cell_Line_ID
dtype: string
- name: Cell_Line_Species
dtype: string
- name: Reference
dtype: string
- name: Description
dtype: string
- name: Database
dtype: string
- name: Assay
dtype: string
- name: TPD_ID_DC50
dtype: string
- name: POI_Cluster
dtype: int64
- name: SMILES_Held_Out
dtype: bool
- name: SMILES_Scaffold_Cluster
dtype: int64
- name: SMILES_Butina_Cluster
dtype: int64
- name: Value_Type_Dmax
dtype: string
- name: Value_Unit_Dmax
dtype: string
- name: Value_Dmax
dtype: float64
- name: Value_Error_Dmax
dtype: float64
- name: Value_Range_Min_Dmax
dtype: float64
- name: Value_Range_Max_Dmax
dtype: float64
- name: Value_Concentration_Dmax
dtype: float64
- name: Value_Operator_Dmax
dtype: string
- name: Value_Category_Dmax
dtype: string
- name: Value_Concentration_Unit_Dmax
dtype: string
- name: TPD_ID_Dmax
dtype: string
splits:
- name: train
num_bytes: 5766659
num_examples: 1563
download_size: 244944
dataset_size: 5766659
configs:
- config_name: DC50
data_files:
- split: train
path: DC50/train-*
- config_name: Dmax
data_files:
- split: train
path: Dmax/train-*
- config_name: default
data_files:
- split: train
path: data/train-*
- config_name: multitask
data_files:
- split: train
path: multitask/train-*