A simple implementation of replica exchange MD simulations for OpenMM.
☆26Jul 19, 2021Updated 4 years ago
Alternatives and similar repositories for reform
Users that are interested in reform are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆65Dec 10, 2025Updated 6 months ago
- A tutorials suite for BioSimSpace.☆37Oct 22, 2025Updated 7 months ago
- Machine Learning tools for Coarse Graining☆32Updated this week
- A tool for visualizing Martini force field simulations in VMD☆25May 11, 2026Updated last month
- To run metadynamics simulations using openMM (based on Peter Eastman's script)☆13Mar 18, 2019Updated 7 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- ☆35Sep 12, 2022Updated 3 years ago
- Tools to build coarse grained models and perform simulations with OpenMM☆24Dec 16, 2022Updated 3 years ago
- Differentiable Markov Chain Monte Carlo☆15Mar 23, 2024Updated 2 years ago
- Home of the public Martini 3 lipid parameters☆28Sep 29, 2025Updated 8 months ago
- Useful Collective Variables for OpenMM☆18May 9, 2024Updated 2 years ago
- COSMO: COarse-grained Simulation of intrinsically disordered prOteins with openMM☆15Updated this week
- ☆50Sep 5, 2024Updated last year
- Funnel maker is a set of scripts that sets up funnel metadynamics simulations for protein-ligand binding with PLUMED and OpenMM.☆15Jan 3, 2026Updated 5 months ago
- OpenMM scripts for polarisable molecular dynamics with the AMOEBA force field☆30May 2, 2020Updated 6 years ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- A unified framework for machine learning collective variables for enhanced sampling simulations☆142May 22, 2026Updated 3 weeks ago
- OpenMM testbed for constant-pH methodologies.☆25Sep 20, 2021Updated 4 years ago
- Flexible storage of chemical topology for molecular simulation☆70Updated this week
- Automated tools for the generation of bespoke SMIRNOFF format parameters for individual molecules.☆79Updated this week
- Implementation of MOFF force field. Please cite us at Latham, A; Zhang, B J. Chem. Theory Comput. 2021, 17, 3134. (https://pubs.acs.org/d…☆11Jun 16, 2022Updated 3 years ago
- Gaussian Accelerated Molecular Dynamics (GaMD) is a computational method for both unconstrained enhanced sampling and free energy calcula…☆102Jul 16, 2025Updated 10 months ago
- TorchMD-NET. This is a simple code to train Schnet using pytorch-lighthing.☆11Nov 10, 2021Updated 4 years ago
- learning coarse-grained force fields☆66Nov 30, 2021Updated 4 years ago
- Unified Free Energy Dynamics (UFED) simulations with OpenMM☆35Aug 20, 2025Updated 9 months ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- A Package for Parametrization of Molecular Mechanics Force Fields☆33Nov 13, 2022Updated 3 years ago
- OpenMM plugin to interface with PLUMED☆79Jan 15, 2026Updated 5 months ago
- Sire Molecular Simulations Framework☆67May 29, 2026Updated 2 weeks ago
- Get access to our MD data files.☆33Nov 22, 2023Updated 2 years ago
- The OpenMM Cookbook and Tutorials☆57Apr 28, 2026Updated last month
- OpenSMOG is a Python library for performing molecular dynamics simulations using Structure-Based Models. OpenSMOG uses OpenMM.☆12May 27, 2026Updated 2 weeks ago
- A collections of scripts for working molecular dynamics simulations☆47Jun 1, 2026Updated 2 weeks ago
- A Python module for carrying out GCMC insertions and deletions of water molecules in OpenMM.☆74Jun 12, 2023Updated 3 years ago
- Perform polymerization and crosslinking in MARTINI coarse-grained forcefield using GROMACS MD package☆29Jan 21, 2026Updated 4 months ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Automated Adaptive Absolute alchemical Free Energy calculator☆124May 1, 2026Updated last month
- Generate PEG topology for GROMACS and LAMMPS☆26Aug 19, 2024Updated last year
- Package to perform minimum-distance distribution analyses of complex solute-solvent interactions☆25May 17, 2026Updated 3 weeks ago
- Lee-Ping's general purpose script for running OpenMM molecular dynamics simulations☆32May 6, 2024Updated 2 years ago
- Graph-Based Force Fields Model to parameterize Force Fields by Graph Attention Networks☆10Apr 9, 2024Updated 2 years ago
- OpenMM plugin that implements (an)isotropic polarizable point dipoles and multipoles up to octopoles.☆11Feb 7, 2025Updated last year
- Contact map analysis for biomolecules; based on MDTraj