A Python-based ligand–pocket filtering pipeline developed for my MSc thesis at the Royal College of Surgeons in Ireland (RCSI). The project integrates Fpocket, RDKit, Py3Dmol, and machine learning to ...
SARS_3c_Cornavirus_ProteinBioactivityScreening using Rdkit-A machine learning tool kit with molecular descriptors This is an Advances in Bioinformatics Project supervised by Dr Farrukh Azeem atTomsk ...
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