Results for “molykit”
2 skills
leandrobenjaminl Ml Modeling
Entrena modelos de machine learning con Scikit-learn, LightGBM y XGBoost, desde un baseline hasta un modelo productivo con validación robusta y explicabilidad.
0 · bundle
lingxling Molfeat
Convert chemical structures (SMILES or RDKit molecules) into numerical representations for machine learning, covering 100+ featurizers including ECFP, MACCS, descriptors, and pretrained models like ChemBERTa, with support for QSAR modeling and virtual screening.
253 · bundle