#

cocrystal

Here is 1 public repository matching this topic...

romandolgo / CoCrystalBoost

Cocrystallization prediction with LightGBM and RDKit features

computational-chemistry drug-discovery lightgbm rdkit chemoinformatics smiles binary-classification molecular-modeling optuna molecular-property-prediction cocrystal cocrystal-prediction cocrystallization

Updated Mar 24, 2026
Python

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