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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 = ["rank", "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 |