Ecosyste.ms: Awesome
An open API service indexing awesome lists of open source software.
Projects in Awesome Lists tagged with solvation
A curated list of projects in awesome lists tagged with solvation .
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/simonboothroyd/absolv
Absolute solvation free energy calculations with OpenFF and OpenMM
alchemical free-energy hydration non-equilibrium openff openmm solvation
Last synced: 25 Oct 2024
https://github.com/becksteinlab/hop
Solvent network analysis. Hop is a python package based on MDAnalysis to analyze solvation dynamics.
mdanalysis molecular-dynamics python science solvation water
Last synced: 10 Nov 2024
