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charmm repositories
acpype
174
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45
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OFFICIAL: AnteChamber PYthon Parser interfacE
pytim
76
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32
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a python package for the interfacial analysis of molecular simulations
ParaMol
26
Stars
3
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A Package for Parametrization of Molecular Mechanics Force Fields
Longbow
17
Stars
3
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Longbow is a tool for automating simulations on a remote HPC machine. Longbow is designed to mimic the normal way an application is run locally but allows simulations to be sent to powerful machines.
OPLSAA-DB
31
Stars
7
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Database of hand-built OPLS-AA parameters and topologies for 464 molecules. Zip files contains parameter and topologies for OpenMM, Gromacs, NAMD, CHARMM, LAMMPS, TINKER, CNS/X-PLOR, Q, DESMOND, BOSS...
dabble
17
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7
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Membrane protein builder and parameterizer
glycosylator
28
Stars
11
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Framework for the rapid modeling glycans and glycoproteins.