Python implementation of the MMSchema specification. Provides fundamental models for molecular mechanics.
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Updated
Jan 6, 2022 - Python
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mmschema
Here are 11 public repositories matching this topic...
Tactic MMIC for molecular docking using AutoDock Vina
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Updated
Jan 6, 2022 - Python
Tactic MMIC translator for OpenFF/MMSchema
standards
interoperability
molecular-mechanics
smirnoff-force-field
forcefield-parameterization
openforcefield
mmic
mmschema
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Updated
Oct 5, 2021 - Python
Tactic MMIC translator for ParmEd/MMSchema
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Dec 6, 2021 - Python
Tactic MMIC translator for QCSchema/MMSchema
quantum-mechanics
molecular-dynamics
standards
interoperability
quantum-chemistry
converters
molecular-mechanics
mmschema
mmelemental
qcschema
qcelemental
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Sep 21, 2021 - Python
MMIC for extracting and fixing PDB files converted to MMSchema molecules
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Updated
Sep 4, 2021 - Python
Strategy MMIC for force field parameter assignment
standards
force-fields
molecular-mechanics
parameterization
mmschema
mmelemental
parameterizing-molecules
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Updated
May 7, 2021 - Python
Tactic MMIC translator for MDAnalysis/MMSchema
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Updated
Jan 3, 2022 - Python
Tactic MMIC for force field parameter assignment with gmx
python
interoperability
force-field
gromacs
molecular-mechanics
parameterization
gmx
mmic
mmschema
molssi
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Updated
Jun 7, 2021 - Python
Strategy MMIC translator for MMSchema
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Updated
Jan 3, 2022 - Python
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