rebelot / schrodinger_utils Star 18 Code Issues Pull requests Various integrations to the Schrodinger ecosystem. With major interest on analysis tools for Molecular Dynamics simulations run with Desmond. bioinformatics structural-biology molecular-dynamics maestro mutual-information schrodinger plumed desmond Updated Jun 17, 2024 Python
1ofyouall / Order_parameter_Desmond_public Star 7 Code Issues Pull requests Order parameter calculations from Desmond Maestro .csv out files molecular-dynamics maestro schrodinger molecular-modeling desmond molecular-dynamics-analysis Updated Oct 25, 2024 Python
avimanyu786 / TrajectoryMergeAssist Sponsor Star 5 Code Issues Pull requests A GUI utility to simplify extended molecular dynamics simulations on Desmond and GROMACS python gui molecular-dynamics merge molecular-dynamics-simulation gromacs trajectories desmond extended-simulation Updated Dec 19, 2023 Python