Pinned Repositories
MDAnalysisCookbook
Examples and tutorials of using MDAnalysis
mmtools
Some collected tools for molecular simulation pipelines
moltemplate
A general cross-platform tool for preparing simulations of molecules and complex molecular assemblies
openmm
OpenMM is a toolkit for molecular simulation using high performance GPU code.
openmm-forcefields
CHARMM and AMBER forcefields for OpenMM
ufedmm
Unified Free Energy Dynamics (UFED) simulations with OpenMM
BKPetkov's Repositories
BKPetkov/MDAnalysisCookbook
Examples and tutorials of using MDAnalysis
BKPetkov/mmtools
Some collected tools for molecular simulation pipelines
BKPetkov/moltemplate
A general cross-platform tool for preparing simulations of molecules and complex molecular assemblies
BKPetkov/openmm
OpenMM is a toolkit for molecular simulation using high performance GPU code.
BKPetkov/openmm-forcefields
CHARMM and AMBER forcefields for OpenMM
BKPetkov/ufedmm
Unified Free Energy Dynamics (UFED) simulations with OpenMM