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"""
Constants for the Antibody Developability Benchmark
"""
import os
from huggingface_hub import HfApi
import pandas as pd
ASSAY_LIST = ["AC-SINS_pH7.4", "PR_CHO", "HIC", "Tm2", "Titer"]
ASSAY_RENAME = {
"AC-SINS_pH7.4": "Self-association",
"PR_CHO": "Polyreactivity",
"HIC": "Hydrophobicity",
"Tm2": "Thermostability",
"Titer": "Titer",
}
ASSAY_DESCRIPTION = {
"AC-SINS_pH7.4": "Self association by AC-SINS at pH 7.4",
"PR_CHO": "Polyreactivity by bead-based method against CHO SMP and ovalbumin",
"HIC": "Hydrophobicity by HIC",
"Tm2": "Thermostability by nanoDSF",
"Titer": "Titer by Valita",
}
ASSAY_EMOJIS = {
"AC-SINS_pH7.4": "🧲",
"PR_CHO": "🎯",
"HIC": "💧",
"Tm2": "🌡️",
"Titer": "🧪",
}
# Input CSV file requirements
REQUIRED_COLUMNS: list[str] = [
"antibody_name",
"vh_protein_sequence",
"vl_protein_sequence",
]
# Cross validation
CV_COLUMN = "hierarchical_cluster_IgG_isotype_stratified_fold"
# Example files
EXAMPLE_FILE_DICT = {
"GDPa1": "data/example-predictions.csv",
"GDPa1_cross_validation": "data/example-predictions-cv.csv",
}
ANTIBODY_NAMES_DICT = {
"GDPa1": pd.read_csv(EXAMPLE_FILE_DICT["GDPa1"])["antibody_name"].tolist(),
"GDPa1_cross_validation": pd.read_csv(EXAMPLE_FILE_DICT["GDPa1_cross_validation"])[
"antibody_name"
].tolist(),
}
# Huggingface API
TOKEN = os.environ.get("HF_TOKEN")
CACHE_PATH = os.getenv("HF_HOME", ".")
API = HfApi(token=TOKEN)
# Huggingface repos
ORGANIZATION = "ginkgo-datapoints"
SUBMISSIONS_REPO = f"{ORGANIZATION}/abdev-bench-submissions"
RESULTS_REPO = f"{ORGANIZATION}/abdev-bench-results"
# Leaderboard dataframes
LEADERBOARD_RESULTS_COLUMNS = ["model", "assay", "spearman", "dataset", "user"] # The columns expected from the results dataset
LEADERBOARD_DISPLAY_COLUMNS = ["model", "property", "spearman", "dataset", "user"] # After changing assay to property (pretty formatting)
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