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1. EvoFLOPA EvoFLOPA Public

   Evo FLOPA: Evolutionary Fast Lead OPtimization Algorithm - This project utilising CUDA and robust SELFIE representation of molecules can create new improved versions of them efficiently.

   Python 3

2. CaveFiller CaveFiller Public

   Python package helping you put waters into burried protein cavities before MD simulations

   Python

3. StructOpt StructOpt Public

   Python package to help one quickly optimize structures from predictions tools like AlphaFold using OpenMM

   Python

4. ChemNames ChemNames Public

   Project to get chemical ids, smiles from csv files based on the molecule names

   Python

5. StructPhylogeny StructPhylogeny Public

   Tool to take as input folder of structures and cluster them based on their structure similarity and use then the similarities to make their phylogenetical tree

   Python

6. mff-ml-exam-prep mff-ml-exam-prep Public

   Lecture notes for the examination

   TeX 3 3