Python for chemoinformatics
- chemoinformatics
- scikit-learn
- cheminformatics
- python
Repository Index
47,133 repositories indexed
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chemmodlab: A Cheminformatics Modeling Laboratory for Fitting and Assessing Machine Learning Models
UV-first benchmark for protein-ligand docking with reproducible annotation, pocket similarity, and HPC workflows.
- benchmark
- bioinformatics
- cheminformatics
- computational-chemistry
Kekule widget for common-lisp-jupyter
- common-lisp
- jupyter
- jupyter-widgets
- cheminformatics