A command line application to launch molecular dynamics simulations with OpenMM
☆40Apr 7, 2022Updated 4 years ago
Alternatives and similar repositories for ommprotocol
Users that are interested in ommprotocol are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- OpenMM plugin to interface with PLUMED☆82Jan 15, 2026Updated 6 months ago
- AdaptivePELE is a Python package aimed at enhancing the sampling of molecular simulations☆17Jul 1, 2026Updated last month
- An open, extensible Python framework for GPU-accelerated alchemical free energy calculations.☆203Jul 6, 2023Updated 3 years ago
- To run metadynamics simulations using openMM (based on Peter Eastman's script)☆13Mar 18, 2019Updated 7 years ago
- An OpenMM plugin that implements the Alchemical Transfer Potential☆40Apr 27, 2023Updated 3 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Code and resources for the EPSRC BioSimSpace project.☆78Sep 1, 2025Updated 11 months ago
- GaudiMM: A modular optimization platform for molecular design☆32May 10, 2024Updated 2 years ago
- ☆14Sep 4, 2021Updated 4 years ago
- A collection of molecular modelling tools for UCSF Chimera☆18Mar 26, 2019Updated 7 years ago
- Use UCSF Chimera Python API in a standard interpreter☆59Mar 28, 2019Updated 7 years ago
- A physical property evaluation toolkit from the Open Forcefield Consortium.☆60Updated this week
- MoleculeKit: Your favorite molecule manipulation kit☆237Updated this week
- A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine.☆336Jan 7, 2026Updated 7 months ago
- HTMD: Programming Environment for Molecular Discovery☆276Updated this week
- 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.
- OpenSMOG is a Python library for performing molecular dynamics simulations using Structure-Based Models. OpenSMOG uses OpenMM.☆12Jul 10, 2026Updated last month
- the simple alchemistry library☆241Jun 1, 2026Updated 2 months ago
- Quickly generate, start and analyze benchmarks for molecular dynamics simulations.☆84Sep 5, 2024Updated last year
- An application for configuring and running simulations with OpenMM☆83Oct 30, 2025Updated 9 months ago
- Simple protein-ligand complex simulation with OpenMM☆95Sep 6, 2023Updated 2 years ago
- Data and analysis scripts for understanding molecular entropies, including conformer flexibility☆13Mar 29, 2021Updated 5 years ago
- A collections of scripts for working molecular dynamics simulations☆47Jun 1, 2026Updated 2 months ago
- Contact map analysis for biomolecules; based on MDTraj☆50May 9, 2026Updated 3 months ago
- This pipeline is executing a RE-EDS run for relative free energy calculations. It can be used for example for calculation of hydration fr…☆34Jun 3, 2025Updated last year
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- PROPKA predicts the pKa values of ionizable groups in proteins and protein-ligand complexes based in the 3D structure.☆370Jul 31, 2026Updated last week
- Hückel model + JAX☆14Oct 13, 2022Updated 3 years ago
- OpenMM plugin to define forces with neural networks☆220Jun 24, 2026Updated last month
- Generate supporting information documents for your computational chemistry manuscripts - Documentation: https://esigen.readthedocs.io☆22Jan 23, 2019Updated 7 years ago
- Absolute solvation free energy calculations with OpenFF and OpenMM☆34Dec 1, 2024Updated last year
- CHARMM and AMBER forcefields for OpenMM (with small molecule support)☆378Updated this week
- Solvent network analysis. Hop is a python package based on MDAnalysis to analyze solvation dynamics.☆15Sep 20, 2018Updated 7 years ago
- Development version of plumed 2☆509Jul 31, 2026Updated last week
- ☆32Apr 18, 2025Updated last year
- 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.
- Parameter/topology editor and molecular simulator☆452Jul 1, 2026Updated last month
- This package is a python library with tools for the Molecular Simulation - Software Gromos. It allows you to easily set up, manage and an…☆17Oct 17, 2023Updated 2 years ago
- Python library to run structure based model (SBM) simulations using the OpenMM toolkit☆25Jan 16, 2026Updated 6 months ago
- Python for chemoinformatics☆52Apr 21, 2019Updated 7 years ago
- Lab policies, training, style guides, etc.☆35Jul 25, 2026Updated 2 weeks ago
- Full automation of relative protein-ligand binding free energy calculations in GROMACS☆47May 3, 2021Updated 5 years ago
- Various integrations to the Schrodinger ecosystem. With major interest on analysis tools for Molecular Dynamics simulations run with Desm…☆23Apr 14, 2026Updated 3 months ago