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dotsdl / mtl_summer_school_2024

Forked from valence-labs/mtl_summer_school_2024
Jupyter Notebook 1 Updated Jun 13, 2024

mitmath / 18337

Forked from SciML/SciMLBook

18.337 - Parallel Computing and Scientific Machine Learning

Jupyter Notebook 246 45 Updated Apr 24, 2023

deGrootLab / pmx

Forked from dseeliger/pmx

Toolkit for free-energy calculation setup/analysis and biomolecular structure handling

Python 164 54 Updated Aug 12, 2025

oxpig / PointVS

Forked from jscant/PointVS

SE(3)-equivariant point cloud networks for virtual screening

Python 11 2 Updated Nov 1, 2022

lmmpf / PyAutoFEP

Forked from luancarvalhomartins/PyAutoFEP

PyAutoFEP: an automated FEP workflow for GROMACS integrating enhanced sampling methods

Python 80 21 Updated Jun 22, 2023