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シリーズ: AI for Chemistry python 7 行 · 更新日 2026-02-11

sklearn_predict.py

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

"""Loads a trained sklearn model checkpoint and makes predictions on a dataset."""

from chemprop.sklearn_predict import sklearn_predict


if __name__ == '__main__':
    sklearn_predict()
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predict.py

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sklearn_train.py

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