MaciejMajew

Barcelona

Pinned Repositories

alphaflow
AlphaFold Meets Flow Matching for Generating Protein Ensembles
Language:Python359 6 3148
biotrainer
fork of biotrainer for my custom features
Language:Python00
DUck
Dynamic Undocking
Language:R0 0 00
OpenDUck
Early implementation of OpenDUck
Language:Python1 0 00
torchmd-cg-1
Codebase to fit parameters, train and build coarse-grained simulations using torchMD
Language:Jupyter Notebook1 0 00
torchmd-net
TorchMD-NET. This is a simple code to train Schnet using pytorch-lighthing.
Language:Python0 0 00
torchmd
End-To-End Molecular Dynamics (MD) Engine using PyTorch
Language:Python563 16 2875
torchmd-cg
Example to fit parameters and run CG simulations using TorchMD and Schnet
Language:Jupyter Notebook42 7 2010
torchmd-net-legacy
TorchMD-NET. This is a simple code to train Schnet using pytorch-lighthing.
Language:Python11 3 23
torchmd-protein-thermodynamics
Tutorials and data necessary to reproduce the results of publication Machine Learning Coarse-Grained Potentials of Protein Thermodynamics
Language:Jupyter Notebook73 5 2110

MaciejMajew's Repositories

MaciejMajew/OpenDUck
Early implementation of OpenDUck
Language:Python1 0 00
MaciejMajew/torchmd-cg-1
Codebase to fit parameters, train and build coarse-grained simulations using torchMD
Language:Jupyter Notebook1 0 00
MaciejMajew/biotrainer
fork of biotrainer for my custom features
Language:Python00
MaciejMajew/DUck
Dynamic Undocking
Language:R0 0 00
MaciejMajew/torchmd-net
TorchMD-NET. This is a simple code to train Schnet using pytorch-lighthing.
Language:Python0 0 00