OpenMM tutorial for the MSBS course
☆189Mar 19, 2026Updated last month
Alternatives and similar repositories for openmm-tutorial-msbs
Users that are interested in openmm-tutorial-msbs are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- The OpenMM Cookbook and Tutorials☆56Apr 21, 2026Updated last week
- To run metadynamics simulations using openMM (based on Peter Eastman's script)☆13Mar 18, 2019Updated 7 years ago
- Simple protein-ligand complex simulation with OpenMM☆96Sep 6, 2023Updated 2 years ago
- High level API for using machine learning models in OpenMM simulations☆162Mar 25, 2026Updated last month
- Cloud-based molecular simulations for everyone☆483Jan 20, 2026Updated 3 months ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- Python library to run structure based model (SBM) simulations using the OpenMM toolkit☆23Jan 16, 2026Updated 3 months ago
- Quickstart Python tutorials helping molecular dynamics practitioners get up to speed with OpenMM☆52Aug 26, 2017Updated 8 years ago
- A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine.☆319Jan 7, 2026Updated 3 months ago
- Useful Collective Variables for OpenMM☆17May 9, 2024Updated last year
- An interoperable Python framework for biomolecular simulation.☆157Apr 23, 2026Updated last week
- Interface to OpenMM for easy setup of molecular dynamic simulations of protein-ligand complexes☆171Updated this week
- Automated Adaptive Absolute alchemical Free Energy calculator☆116Feb 9, 2026Updated 2 months ago
- learning coarse-grained force fields☆66Nov 30, 2021Updated 4 years ago
- Materials for 2023 workshop at CCPBioSim Training Week https://www.ccpbiosim.ac.uk/events/upcoming-events/eventdetail/104/-/training-week☆31Sep 27, 2023Updated 2 years 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.
- OpenMM-based framework for absolute and relative binding free energy calculations with the Alchemical Transfer Method☆161Apr 9, 2026Updated 3 weeks ago
- CHARMM and AMBER forcefields for OpenMM (with small molecule support)☆361Updated this week
- The Binding Affinity Tool (BAT.py) is a fully automated tool for absolute binding free energy (ABFE) and relative binding free energy (RB…☆222Mar 4, 2026Updated last month
- Repository for MD methods and analysis from submitted or published work☆20Jun 10, 2023Updated 2 years ago
- A Python module for carrying out GCMC insertions and deletions of water molecules in OpenMM.☆75Jun 12, 2023Updated 2 years ago
- Materials for the 2021 PRACE Workshop @ SurfSARA☆30Nov 11, 2021Updated 4 years ago
- Tools to build coarse grained models and perform simulations with OpenMM☆24Dec 16, 2022Updated 3 years ago
- An application for configuring and running simulations with OpenMM☆80Oct 30, 2025Updated 6 months ago
- PDBFixer fixes problems in PDB files☆642Mar 10, 2026Updated last month
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- Unified Free Energy Dynamics (UFED) simulations with OpenMM☆35Aug 20, 2025Updated 8 months ago
- ☆13Jun 11, 2024Updated last year
- An open, extensible Python framework for GPU-accelerated alchemical free energy calculations.☆201Jul 6, 2023Updated 2 years ago
- A tutorial for Streamlined Alchemical Free Energy Perturbations with NAMD☆15Apr 3, 2026Updated 3 weeks ago
- Material for the 3rd i-CoMSE Workshop: Methods for Advanced Sampling☆42May 1, 2023Updated 2 years ago
- Some practical theoretic background needed for running MD simulations☆22Aug 1, 2025Updated 8 months ago
- Notebooks demonstrating how to do simple tasks related to free energy calculations.☆65Updated this week
- A tutorials suite for BioSimSpace.☆37Oct 22, 2025Updated 6 months ago
- End-To-End Molecular Dynamics (MD) Engine using PyTorch☆699Apr 21, 2026Updated last week
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- ☆65Jul 25, 2025Updated 9 months ago
- Gaussian Accelerated Molecular Dynamics (GaMD) is a computational method for both unconstrained enhanced sampling and free energy calcula…☆98Jul 16, 2025Updated 9 months ago
- PENSA - a collection of python methods for exploratory analysis and comparison of biomolecular conformational ensembles.☆149Feb 12, 2025Updated last year
- Interaction Fingerprints for protein-ligand complexes and more☆495Updated this week
- Examples of applications of pymbar to various problems in simulation and experiment☆23Jan 16, 2015Updated 11 years ago
- OpenMM is a toolkit for molecular simulation using high performance GPU code.☆1,871Apr 17, 2026Updated last week
- ☆16Jul 28, 2022Updated 3 years ago