toshinagata/Molby

An Interactive Molecular Modeling Software with Integrated Ruby Interpreter

Language: C - Size: 100 MB - Last synced at: 9 months ago - Pushed at: 9 months ago - Stars: 0 - Forks: 0

lvpp/sigma

LVPP sigma-profile database + COSMO-SAC parametrizations

Language: Python - Size: 5.49 MB - Last synced at: about 1 year ago - Pushed at: about 1 year ago - Stars: 53 - Forks: 26

Cipulot/GAMESS-Interface

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

Language: C# - Size: 2.73 MB - Last synced at: about 2 months ago - Pushed at: almost 5 years ago - Stars: 1 - Forks: 2

caraortizmah/BindingInteraction

Language: Shell - Size: 18.1 MB - Last synced at: over 1 year ago - Pushed at: almost 4 years ago - Stars: 2 - Forks: 3

MBI-Theory/superdyson

Property evaluation for general CI expansions

Language: Fortran - Size: 5.41 MB - Last synced at: over 1 year ago - Pushed at: about 2 years ago - Stars: 1 - Forks: 0

schneiderfelipe/jiujitsu 📦

Easily submit job inputs to different clusters.

Language: Shell - Size: 16.6 KB - Last synced at: about 1 year ago - Pushed at: almost 6 years ago - Stars: 0 - Forks: 0

RyokoKuga/GAMARSS

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

Language: Python - Size: 17.9 MB - Last synced at: about 2 years ago - Pushed at: almost 4 years ago - Stars: 2 - Forks: 1

polyluxus/tools-for-gamess.bash

Scripts to help with the execution of GAMESS

Language: Shell - Size: 43 KB - Last synced at: 2 months ago - Pushed at: over 5 years ago - Stars: 2 - Forks: 0

RyokoKuga/Gnebit

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

Language: Python - Size: 12.3 MB - Last synced at: about 2 years ago - Pushed at: almost 4 years ago - Stars: 0 - Forks: 1

DrSnowbird/docker-hpc-gamess-ubuntu

docker-hpc-gamess-ubuntu

Language: Shell - Size: 35.2 KB - Last synced at: 2 months ago - Pushed at: about 7 years ago - Stars: 0 - Forks: 0

sasha-markov/gms-utils

Language: Python - Size: 19.5 KB - Last synced at: about 2 years ago - Pushed at: almost 8 years ago - Stars: 0 - Forks: 0