Ecosyste.ms: Awesome
An open API service indexing awesome lists of open source software.
Projects in Awesome Lists tagged with reaction-coordinate
A curated list of projects in awesome lists tagged with reaction-coordinate .
https://github.com/patonlab/pyqrc
Quick Reaction Coordinate using Python
frequency-calculation gaussian irc qrc reaction-coordinate transition-structure
Last synced: 20 Nov 2024
https://github.com/jjgoings/wham
Binless weighted histogram analysis method (WHAM) aka multi-state Bennet acceptance ratio (MBAR) with the ability to combine umbrella sampling simulations with different restraints and project onto reaction coordinates other than ones sampled at
dynamics free-energies mbar molecular pmf reaction-coordinate statistics weighted-histogram-analysis
Last synced: 03 Dec 2024
