OpenMM plugin to interface with PLUMED
☆81Jan 15, 2026Updated 6 months ago
Alternatives and similar repositories for openmm-plumed
Users that are interested in openmm-plumed are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- High level API for using machine learning models in OpenMM simulations☆176Jul 17, 2026Updated last week
- ☆64Dec 10, 2025Updated 7 months ago
- An example of how to write a plugin for OpenMM☆31Jan 25, 2024Updated 2 years ago
- An application for configuring and running simulations with OpenMM☆81Oct 30, 2025Updated 8 months ago
- A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine.☆333Jan 7, 2026Updated 6 months ago
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- OpenMM plugin to define forces with neural networks☆220Jun 24, 2026Updated 3 weeks ago
- CHARMM and AMBER forcefields for OpenMM (with small molecule support)☆376Jul 13, 2026Updated last week
- An open source Python framework for transition interface and path sampling calculations.☆117Jun 6, 2026Updated last month
- A command line application to launch molecular dynamics simulations with OpenMM☆40Apr 7, 2022Updated 4 years ago
- Development version of plumed 2☆508Updated this week
- Tools to build coarse grained models and perform simulations with OpenMM☆24Dec 16, 2022Updated 3 years ago
- To run metadynamics simulations using openMM (based on Peter Eastman's script)☆13Mar 18, 2019Updated 7 years ago
- Parameter/topology editor and molecular simulator☆451Jul 1, 2026Updated 3 weeks ago
- Quantum Mechanical Bespoke Force Field Derivation Toolkit☆108Jul 5, 2024Updated 2 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation avai…☆401Updated this week
- HTMD: Programming Environment for Molecular Discovery☆275Jul 16, 2026Updated last week
- PENSA - a collection of python methods for exploratory analysis and comparison of biomolecular conformational ensembles.☆151Feb 12, 2025Updated last year
- Unified Free Energy Dynamics (UFED) simulations with OpenMM☆36Aug 20, 2025Updated 11 months ago
- Force fields produced by the Open Force Field Initiative☆188Jul 6, 2026Updated 2 weeks ago
- Gibbs sampling for expanded ensembles and replica exchange simulations☆11Jun 1, 2014Updated 12 years ago
- WESTPA: The Weighted Ensemble Simulation Toolkit with Parallelization and Analysis☆218Jul 8, 2026Updated 2 weeks ago
- This repo contains the codes to run solvation free energy prediction.☆13May 1, 2022Updated 4 years ago
- ☆48Feb 17, 2026Updated 5 months ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Gaussian Accelerated Molecular Dynamics (GaMD) is a computational method for both unconstrained enhanced sampling and free energy calcula…☆102Jul 16, 2025Updated last year
- Recipes and protocols for molecular free energy calculations using the openmmtools/perses and Open Free Energy toolkits☆19Updated this week
- Models trained on the SPICE dataset☆10Sep 23, 2022Updated 3 years ago
- A project (and object) for storing, manipulating, and converting molecular mechanics data.☆95Updated this week
- Accelerated sampling framework with autoencoder-based method☆23Sep 7, 2019Updated 6 years ago
- Funnel maker is a set of scripts that sets up funnel metadynamics simulations for protein-ligand binding with PLUMED and OpenMM.☆15Jan 3, 2026Updated 6 months ago
- Notebooks demonstrating how to do simple tasks related to free energy calculations.☆68Jul 7, 2026Updated 2 weeks ago
- High-performance operations for neural network potentials☆102Jun 9, 2026Updated last month
- A tutorials suite for BioSimSpace.☆37Oct 22, 2025Updated 9 months ago
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- An open library for the analysis of molecular dynamics trajectories☆724Updated this week
- asyncmd is a library to write concurrent code to run and analyze molecular dynamics simulations using pythons async/await syntax. Computa…☆20Jul 16, 2026Updated last week
- An OpenMM plugin that implements the Alchemical Transfer Potential☆40Apr 27, 2023Updated 3 years ago
- Python implementation of the multistate Bennett acceptance ratio (MBAR)☆310Feb 12, 2026Updated 5 months ago
- A simple implementation of replica exchange MD simulations for OpenMM.☆26Jul 19, 2021Updated 5 years ago
- OpenMM-based framework for absolute and relative binding free energy calculations with the Alchemical Transfer Method☆172Jun 5, 2026Updated last month
- A python module to plot secondary structure schemes☆26Mar 18, 2026Updated 4 months ago