Pinned Repositories
DiffDock
Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
torsional-diffusion
Implementation of Torsional Diffusion for Molecular Conformer Generation (NeurIPS 2022)
PMDM
crem
CReM: chemically reasonable mutations framework
practical_cheminformatics_tutorials
Practical Cheminformatics Tutorials
tutorials
Various tutorials about MD setup and analysis, protein-ligand docking, machine learning and lots of other interesting things.
aizynthfinder
A tool for retrosynthetic planning
QSARtuna
QSARtuna: QSAR model building with the optuna framework
REINVENT4
AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.
KarmaDock
MachineGUN001's Repositories
MachineGUN001/practical_cheminformatics_tutorials
Practical Cheminformatics Tutorials
MachineGUN001/tutorials
Various tutorials about MD setup and analysis, protein-ligand docking, machine learning and lots of other interesting things.
MachineGUN001/crem
CReM: chemically reasonable mutations framework