protac_degradation_predictor/config.py

from dataclasses import dataclass, field

@dataclass(frozen=True)
class Config:
    # Embeddings information
    morgan_radius: int = 10 # 15
    fingerprint_size: int = 256 # 224
    protein_embedding_size: int = 1024
    cell_embedding_size: int = 768

    # Data information
    dmax_threshold: float = 0.6
    pdc50_threshold: float = 6.0
    active_label: str = field(default=f'Active (Dmax {dmax_threshold}, pDC50 {pdc50_threshold})')
    e3_ligase2uniprot: dict = field(default_factory=lambda: {
            'VHL': 'P40337',
            'CRBN': 'Q96SW2',
            'DCAF11': 'Q8TEB1',
            'DCAF15': 'Q66K64',
            'DCAF16': 'Q9NXF7',
            'MDM2': 'Q00987',
            'Mdm2': 'Q00987',
            'XIAP': 'P98170',
            'cIAP1': 'Q7Z460',
            'IAP': 'P98170',  # I couldn't find the Uniprot ID for IAP, so it's XIAP instead
            'Iap': 'P98170',  # I couldn't find the Uniprot ID for IAP, so it's XIAP instead
            'AhR': 'P35869',
            'RNF4': 'P78317',
            'RNF114': 'Q9Y508',
            'FEM1B': 'Q9UK73',
            'Ubr1': 'Q8IWV7',
        })

config = Config()