pKa ML correction model for QM direct pKa calculation
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资源简介：
raw data for https://github.com/camattelaer/pKa-calc_LFER BE AWARE this folder contains over 20GB of raw data from the calculations
提供机构：
Zenodo创建时间：
2026-05-16
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raw data for https://github.com/camattelaer/pKa-calc_LFER BE AWARE this folder contains over 20GB of raw data from the calculations