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시리즈: AI for Chemistry python 6 줄 · 업데이트 2026-02-11

hyperparameter_optimization.py

AI for Chemistry/code/chemprop_VP-main (1)/chemprop_VP-main/hyperparameter_optimization.py

"""Optimizes hyperparameters using Bayesian optimization."""

from chemprop.hyperparameter_optimization import chemprop_hyperopt

if __name__ == '__main__':
    chemprop_hyperopt()
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fingerprint.py

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interpret.py

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