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Taras Voitsitskyi's Projects

3d-prot-dta icon 3d-prot-dta

3DProtDTA: a deep learning model for drug-target affinity prediction based on residue-level protein graphs

pdb_manip_py icon pdb_manip_py

Pdb_Manip_py is a python library allowing simple operations on pdb coor files.

pocket-cfdm icon pocket-cfdm

Augmenting a training dataset of the generative diffusion model for molecular docking with artificial binding pockets

pypept icon pypept

pyPept: a python library to generate atomistic 2D and 3D representations of peptides

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