Ecosyste.ms: Awesome
An open API service indexing awesome lists of open source software.
Projects in Awesome Lists tagged with free-energies
A curated list of projects in awesome lists tagged with free-energies .
https://github.com/MobleyLab/FreeSolv
Experimental and calculated small molecule hydration free energies
calculated-values database experimental-data experimental-values free-energies hydration python solvation
Last synced: 03 Aug 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: 15 Oct 2024
