import os from huggingface_hub import HfApi ENDPOINTS = ["LogD", "KSOL", "MLM CLint", "HLM CLint", "Caco-2 Permeability Efflux", "Caco-2 Permeability Papp A>B", "MPPB", "MBPB", "MGMB"] STANDARD_COLS = ["Endpoint", "user", "submission_time", "model_report"] METRICS = ["MAE", "RAE", "R2", "Spearman R", "Kendall's Tau"] # Final columns LB_COLS = ["user", "MAE", "R2", "Spearman R", "Kendall's Tau", "submission time", "model details"] LB_AVG = ["user", "MA-RAE", "R2", "Spearman R", "Kendall's Tau", "submission time", "model details"] # Delete some columns for overall LB? LB_DTYPES = ['markdown', 'number', 'number', 'number', 'number', 'str', 'markdown', 'number'] # Dictionary with unit conversion multipliers for each endpoint multiplier_dict = {"LogD": 1, "KSOL": 1e-6, "MLM CLint": 1, "HLM CLint": 1, "Caco-2 Permeability Efflux": 1e-6, "Caco-2 Permeability Papp A>B": 1, "MPPB": 1, "MBPB": 1, "MGMB": 1} TOKEN = os.environ.get("HF_TOKEN") CACHE_PATH=os.getenv("HF_HOME", ".") THROTTLE_MINUTES = 480 # minutes between submissions API = HfApi(token=TOKEN) organization="OpenADMET" submissions_repo = f'{organization}/openadmet-expansionrx-challenge-submissions' # private results_repo_test = f'{organization}/openadmet-expansionrx-challenge-results' # public results_repo_validation = f'{organization}/openadmet-expansionrx-challenge-results-validation' # public test_repo = f'{organization}/openadmet-expansionrx-challenge-test-data' # private