lvpp/sigma

LVPP sigma-profile database + COSMO-SAC parametrizations

Language: Python - Size: 6.57 MB - Last synced at: about 2 months ago - Pushed at: about 2 months ago - Stars: 63 - Forks: 28

toshinagata/Molby

An Interactive Molecular Modeling Software with Integrated Ruby Interpreter

Language: C - Size: 100 MB - Last synced at: about 1 year ago - Pushed at: about 1 year ago - Stars: 0 - Forks: 0

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: 5 months ago - Pushed at: about 5 years ago - Stars: 1 - Forks: 2

caraortizmah/BindingInteraction

Language: Shell - Size: 18.1 MB - Last synced at: almost 2 years ago - Pushed at: about 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: almost 2 years ago - Pushed at: over 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: about 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: over 2 years ago - Pushed at: about 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: 16 days ago - Pushed at: almost 6 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: over 2 years ago - Pushed at: about 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: 5 months ago - Pushed at: over 7 years ago - Stars: 0 - Forks: 0

sasha-markov/gms-utils

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