Popular repositories Loading

1. workflows workflows Public

   C++ 2 1

2. trappeua trappeua Public

   Forked from wesbarnett/trappeua

   GROMACS implementation of TraPPE-UA force field with HH-Alkane modifications

3. FreeEnergy FreeEnergy Public

   Forked from msoroush/FreeEnergy

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

   Python

4. alchemical-analysis alchemical-analysis Public

   Forked from msoroush/alchemical-analysis

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

   Python

5. Workshop Workshop Public

   Forked from GOMC-WSU/Workshop

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

   Fortran

6. mosdef-workflows mosdef-workflows Public

   Forked from mosdef-hub/mosdef-workflows

   Sample molecular simulations workflows using a mixture of MoSDeF and external utilities

   Jupyter Notebook