Pinned

1. pyMuDRA pyMuDRA Public

   Python implementation of Multi-Descriptor Read Across.

   Python 1 2

2. GBEvo GBEvo Public

   Covariance Matrix Adaptation Evolution Strategy (CMA-ES) for features selection and hyperparameter optimization of gradient boosting models (XGBoost, LGBM, CatBoost etc.).

   Python 1 3

3. SMViewer SMViewer Public

   Simple Molecules Viewer is a Python Dash app for displaying sets of molecules and filtering them by a property.

   Python 1 1