msoroush

Mohammad Soroush Barhaghi's repositories

This repository is a bash script to prepare the simulation files for FreeEnergy calculation in GOMC.

Language:PythonGPL-3.02 20

An open tool implementing some recommended practices for analyzing alchemical free energy calculations

Language:PythonMIT1 30

CUDA programs for our training session.

Language:C1 10

the simple alchemistry library

Language:PythonBSD-3-Clause020

the simple alchemistry test set

Language:PythonBSD-3-Clause010

GOMC - GPU Optimized Monte Carlo is a parallel molecular simulation code designed for high-performance simulation of large systems

Language:C++MIT010

A Python module for carrying out GCMC insertions and deletions of water molecules in OpenMM.

Language:PythonMIT010

System for profiling hybrid NAMD-GOMC simulation

Language:PythonGPL-2.0030

This repository provides example and instruction to learn about GOMC and its capabilities.

Language:FortranAGPL-3.0010