echarvati Goto Github PK
Name: Eva Charvati
Type: User
Company: TU Darmstadt
Bio: - Postdoctoral researcher at TU Darmstadt 2018-2023: PhD in physical chemistry from Shanghai Jiao Tong University
Location: Darmstadt
Eva Charvati's Projects
aims_ffopt
Automatically optimize the parameters for TEAM Force Field
aims_simu
High-throughput Molecular Simulation (HMS) workflow server
aims_tools
A set of tools or wrappers for preparing and running molecular simulations
alchemical-analysis
An open tool implementing some recommended practices for analyzing alchemical free energy calculations
alchemlyb
the simple alchemistry library
cg_graphmapping
command
cremer-pople-sampling
Sampling of small rings in Cremer-Pople coordinates
freesolv
Experimental and calculated small molecule hydration free energies
mpmdp
Multi purpose molecular dynamics package
pymbar-examples
Examples of applications of pymbar to various problems in simulation and experiment
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