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pmx
pmx PublicForked from deGrootLab/pmx
Toolkit for free-energy calculation setup/analysis and biomolecular structure handling
Python
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cgenff2pmx
cgenff2pmx PublicForked from AdrienCerdan/cgenff2pmx
cgenff2pmx.py is a code to parse and merge .itp and .prm from cgenff_charmm2gmx.py to a single pmx-readable .itp
Python
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PyAutoFEP
PyAutoFEP PublicForked from lmmpf/PyAutoFEP
PyAutoFEP: an automated FEP workflow for GROMACS integrating enhanced sampling methods
Python
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