Eva Charvati's repositories
AIMS_FFOpt
Automatically optimize the parameters for TEAM Force Field
Language:Python000
AIMS_Simu
High-throughput Molecular Simulation (HMS) workflow server
Language:Python000
AIMS_Tools
A set of tools or wrappers for preparing and running molecular simulations
Language:PythonLGPL-2.1000
alchemical-analysis
An open tool implementing some recommended practices for analyzing alchemical free energy calculations
Language:PythonMIT000
alchemlyb
the simple alchemistry library
Language:PythonBSD-3-Clause000
Language:Python000
Language:Vim Script000
FreeSolv
Experimental and calculated small molecule hydration free energies
Language:Python000
MPMDP
Multi purpose molecular dynamics package
Language:Julia000
pymbar-examples
Examples of applications of pymbar to various problems in simulation and experiment
Language:Python000