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mmelemental

Here are 4 public repositories matching this topic...

MolSSI / mmic_parmed

Tactic MMIC translator for ParmEd/MMSchema

molecular-dynamics standards interoperability molecular-mechanics parmed mmschema mmelemental

Updated Dec 6, 2021
Python

MolSSI / mmic_qcschema

Tactic MMIC translator for QCSchema/MMSchema

quantum-mechanics molecular-dynamics standards interoperability quantum-chemistry converters molecular-mechanics mmschema mmelemental qcschema qcelemental

Updated Sep 21, 2021
Python

MolSSI / mmic_mda

Tactic MMIC translator for MDAnalysis/MMSchema

molecular-dynamics standards interoperability mdanalysis molecular-mechanics mmschema mmelemental

Updated Jan 3, 2022
Python

MolSSI / mmic_ffpa

Strategy MMIC for force field parameter assignment

standards force-fields molecular-mechanics parameterization mmschema mmelemental parameterizing-molecules

Updated May 7, 2021
Python

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