mmschema

There are 0 repository under mmschema topic.

• MolSSI / mmelemental

  Python implementation of the MMSchema specification. Provides fundamental models for molecular mechanics.

  interoperabilitymmschemamolecular-dynamicsmolecular-mechanicspythonstandards
  Language:Python 10

• MolSSI / mmic_docking

  Strategy MMIC for molecular docking

  dockingreceptorliganddrugproteinmmschemammicmolssiinteroperabilitystandards
  Language:Python 7

• MolSSI / mmic_autodock_vina

  Tactic MMIC for molecular docking using AutoDock Vina

  dockingmmicmmschemainteroperabilitystandardsautodock-vinapythonmolssi
  Language:Python 4

• MolSSI / mmic_openff

  Tactic MMIC translator for OpenFF/MMSchema

  mmschemastandardsopenforcefieldsmirnoff-force-fieldforcefield-parameterizationinteroperabilitymolecular-mechanicsmmic
  Language:Python 1

• MolSSI / mmic_parmed

  Tactic MMIC translator for ParmEd/MMSchema

  standardsmolecular-dynamicsmolecular-mechanicsinteroperabilitymmelementalmmschemaparmed
  Language:Python 1

• MolSSI / mmic_ffpa

  Strategy MMIC for force field parameter assignment

  molecular-mechanicsforce-fieldsparameterizationmmschemammelementalstandardsparameterizing-molecules
  Language:Python

• MolSSI / mmic_ffpa_gmx

  Tactic MMIC for force field parameter assignment with gmx

  gmxforce-fieldpythonmmschemammicinteroperabilitymolecular-mechanicsmolssigromacsparameterization
  Language:Python

• MolSSI / mmic_mda

  Tactic MMIC translator for MDAnalysis/MMSchema

  interoperabilitymdanalysismmelementalmmschemamolecular-dynamicsmolecular-mechanicsstandards
  Language:Python

• MolSSI / mmic_pdb

  MMIC for extracting and fixing PDB files converted to MMSchema molecules

  mmicmmschemastandardspdbpdbfixerinteroperabilitymolecular-dynamicsproteins
  Language:Python

• MolSSI / mmic_qcschema

  Tactic MMIC translator for QCSchema/MMSchema

  qcschemammschemainteroperabilitystandardsconvertersmolecular-mechanicsquantum-mechanicsqcelementalmmelementalmolecular-dynamicsquantum-chemistry
  Language:Python

• MolSSI / mmic_translator

  Strategy MMIC translator for MMSchema

  mmschemastandardsconversionmolecular-mechanicsmmicinteroperabilityschema
  Language:Python