desmond

Here are 8 public repositories matching this topic...

rebelot / schrodinger_utils

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 Apr 14, 2026
Python

avimanyu786 / TrajectoryMergeAssist

Sponsor

Star

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

1ofyouall / Order_parameter_Desmond_public

Star

Order parameter calculations from Desmond Maestro .csv out files

molecular-dynamics maestro schrodinger molecular-modeling desmond molecular-dynamics-analysis

Updated Oct 25, 2024
Python

AngelDev2343 / EmuNAV

Star

EmuNAV es un emulador para jugar ROMs de Nintendo DS directamente en el navegador

emulator nintendo-ds navegador desmond

Updated Apr 24, 2026
JavaScript

sunghunbae / mdscribe

Star

A toolset for molecular dynamics

modeling openmm ternary desmond

Updated Jul 23, 2025
Python

Tqggle / nou2018

Star

wowo

desmond approves

Updated Jul 22, 2019
Python

sunghunbae / desmondtools

Star

Tools for Schrodinger Desmond

dynamics molecular schrodinger multisim desmond

Updated May 2, 2025
HTML

Menzisk / ANT-MDS-Database

Star

Trajectory database for 16 Molecular dynamics simulations systems of ANT(3″)-Ia aminoglycoside nucleotidyltransferase from A. baumannii & S. aureus | Git LFS · Schrödinger Maestro & Desmond

git-lfs bioinformatics structural-biology computational-chemistry maestro molecular-dynamics-simulation protein-dynamics molecular-modeling desmond antimicrobial-resistance trajectory-data protein-modeling drug-discovery-and-development

Updated Sep 7, 2026
Shell

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