gamess

There are 0 repository under gamess topic.

• lvpp / sigma

  LVPP sigma-profile database + COSMO-SAC parametrizations

  cosmosigmadatabasemopacgamesscosmo-saccosmo-rsf-sacunifacactivity
  Language:Python 55

• RyokoKuga / GAMARSS

  GAMARSS is data extraction software for GAMESS(US) and Firefly.

  gamessfireflycomputational-chemistryquantum-chemistrychemistrypythontkinter
  Language:Python 3

• caraortizmah / BindingInteraction

  gamessmhcmopacpipelineprotein-ligand-interactions
  Language:Shell 2

• polyluxus / tools-for-gamess.bash

  Scripts to help with the execution of GAMESS

  bash-scriptcomputational-chemistrygamess
  Language:Shell 2

• Cipulot / GAMESS-Interface

  Very simple but yet effective GUI to use in combination with the GAMESS, general quantum chemistry package.

  chemistrygamesscomputational-chemistry
  Language:C# 1

• MBI-Theory / superdyson

  Property evaluation for general CI expansions

  configuration-interactiongamessquantum-chemistry
  Language:Fortran 1

• schneiderfelipe / jiujitsu

  Easily submit job inputs to different clusters.

  computational-chemistryorca-quantum-chemistrygamessnwchem
  Language:Shell 1

• RyokoKuga / Gnebit

  Support software for Nudged Elastic Band (NEB) Methods of GAMESS (US).

  chemistrycomputational-chemistrygamesspythonquantum-chemistrytkinter
  Language:Python 0

• toshinagata / Molby

  An Interactive Molecular Modeling Software with Integrated Ruby Interpreter

  amberchemistrygamessmolecular-modelingrubyortep
  Language:C 0

• cbell / WebMO

  awscomputational-chemistrygamessyaml

• DrSnowbird / docker-hpc-gamess-ubuntu

  docker-hpc-gamess-ubuntu

  hpchpc-applicationsgamessdockerubuntu
  Language:Shell