A simple implementation of replica exchange MD simulations for OpenMM.
☆25Jul 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:
- ☆64Dec 10, 2025Updated 3 months ago
- A tutorials suite for BioSimSpace.☆35Oct 22, 2025Updated 5 months ago
- A tool for visualizing Martini force field simulations in VMD☆22Aug 22, 2025Updated 7 months ago
- To run metadynamics simulations using openMM (based on Peter Eastman's script)☆13Mar 18, 2019Updated 7 years ago
- ☆35Sep 12, 2022Updated 3 years ago
- NordVPN Special Discount Offer • AdSave on top-rated NordVPN 1 or 2-year plans with secure browsing, privacy protection, and support for for all major platforms.
- Tools to build coarse grained models and perform simulations with OpenMM☆25Dec 16, 2022Updated 3 years ago
- Differentiable Markov Chain Monte Carlo☆15Mar 23, 2024Updated 2 years ago
- Home of the public Martini 3 lipid parameters☆22Sep 29, 2025Updated 5 months ago
- Useful Collective Variables for OpenMM☆17May 9, 2024Updated last year
- COSMO: COarse-grained Simulation of intrinsically disordered prOteins with openMM☆15Feb 8, 2026Updated last month
- ☆45Sep 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 2 months ago
- OpenMM scripts for polarisable molecular dynamics with the AMOEBA force field☆28May 2, 2020Updated 5 years ago
- A unified framework for machine learning collective variables for enhanced sampling simulations☆134Mar 11, 2026Updated 2 weeks ago
- DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- OpenMM testbed for constant-pH methodologies.☆24Sep 20, 2021Updated 4 years ago
- Automated tools for the generation of bespoke SMIRNOFF format parameters for individual molecules.☆74Mar 17, 2026Updated last week
- Flexible storage of chemical topology for molecular simulation☆68Mar 16, 2026Updated last 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…☆10Jun 16, 2022Updated 3 years ago
- Gaussian Accelerated Molecular Dynamics (GaMD) is a computational method for both unconstrained enhanced sampling and free energy calcula…☆97Jul 16, 2025Updated 8 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☆65Nov 30, 2021Updated 4 years ago
- Unified Free Energy Dynamics (UFED) simulations with OpenMM☆35Aug 20, 2025Updated 7 months ago
- A Package for Parametrization of Molecular Mechanics Force Fields☆32Nov 13, 2022Updated 3 years ago
- Wordpress hosting with auto-scaling on Cloudways • AdFully Managed hosting built for WordPress-powered businesses that need reliable, auto-scalable hosting. Cloudways SafeUpdates now available.
- OpenMM plugin to interface with PLUMED☆77Jan 15, 2026Updated 2 months ago
- Get access to our MD data files.☆31Nov 22, 2023Updated 2 years ago
- Sire Molecular Simulations Framework☆64Mar 20, 2026Updated last week
- The OpenMM Cookbook and Tutorials☆56Feb 11, 2026Updated last month
- OpenSMOG is a Python library for performing molecular dynamics simulations using Structure-Based Models. OpenSMOG uses OpenMM.☆12Feb 20, 2026Updated last month
- A collections of scripts for working molecular dynamics simulations☆45Feb 6, 2026Updated last month
- Package to perform minimum-distance distribution analyses of complex solute-solvent interactions☆23Updated this week
- A Python module for carrying out GCMC insertions and deletions of water molecules in OpenMM.☆75Jun 12, 2023Updated 2 years ago
- Perform polymerization and crosslinking in MARTINI coarse-grained forcefield using GROMACS MD package☆28Jan 21, 2026Updated 2 months ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- Automated Adaptive Absolute alchemical Free Energy calculator☆115Feb 9, 2026Updated last month
- Generate PEG topology for GROMACS and LAMMPS☆25Aug 19, 2024Updated last year
- Lee-Ping's general purpose script for running OpenMM molecular dynamics simulations☆32May 6, 2024Updated last year
- Graph-Based Force Fields Model to parameterize Force Fields by Graph Attention Networks☆10Apr 9, 2024Updated last year
- OpenMM plugin that implements (an)isotropic polarizable point dipoles and multipoles up to octopoles.☆11Feb 7, 2025Updated last year
- The MDAnalysis Toolkits Registry☆19Updated this week
- Contact map analysis for biomolecules; based on MDTraj☆48Jan 25, 2026Updated 2 months ago