Implementation of MOFF force field. Please cite us at Latham, A; Zhang, B J. Chem. Theory Comput. 2021, 17, 3134. (https://pubs.acs.org/doi/abs/10.1021/acs.jctc.0c01220)
☆11Jun 16, 2022Updated 4 years ago
Alternatives and similar repositories for MOFF
Users that are interested in MOFF 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 implementation of MOFF, MRG-CG, and HPS models.☆44Jun 10, 2026Updated last month
- Associative memory, Water mediated, Structure and Energy Model (AWSEM) protein simulation code☆42Dec 11, 2025Updated 7 months ago
- An implementation of the AWSEM coarse-grained protein folding forcefield in OpenMM☆39May 28, 2025Updated last year
- OpenSMOG is a Python library for performing molecular dynamics simulations using Structure-Based Models. OpenSMOG uses OpenMM.☆12Jul 10, 2026Updated 2 weeks ago
- Rigid Body Dynamics with OpenMM☆12May 29, 2018Updated 8 years ago
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- Quickstart Python tutorials helping molecular dynamics practitioners get up to speed with OpenMM☆52Aug 26, 2017Updated 8 years ago
- LASSI - Lattice Simulation Engine For Stickers And Spacer Interactions☆20Sep 3, 2025Updated 10 months ago
- Force Fields☆71Jan 27, 2025Updated last year
- Statistical models for biomolecular dynamics☆44May 8, 2025Updated last year
- K-means clustering☆22Sep 7, 2021Updated 4 years ago
- Collection of Python scripts to setup and run simulations with OpenMM☆17May 22, 2020Updated 6 years ago
- ☆11Jan 5, 2022Updated 4 years ago
- Quantum Mechanical Bespoke Force Field Derivation Toolkit☆108Jul 5, 2024Updated 2 years ago
- DeePhase predictor of homotypic liquid-liquid phase separation of proteins & the code associated with the paper "Learning the molecular g…☆20Dec 30, 2021Updated 4 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.
- ☆24Jun 16, 2025Updated last year
- An implementation of the 3SPN2 and 3SPN2.C coarse-grained DNA forcefields in OpenMM☆19Jul 13, 2026Updated last week
- ☆33Sep 23, 2023Updated 2 years ago
- Gaussian Accelerated Molecular Dynamics (GaMD) is a computational method for both unconstrained enhanced sampling and free energy calcula…☆102Jul 16, 2025Updated last year
- OpenMM scripts for polarisable molecular dynamics with the AMOEBA force field☆29May 2, 2020Updated 6 years ago
- A simple implementation of replica exchange MD simulations for OpenMM.☆26Jul 19, 2021Updated 5 years ago
- A comprehensive tool for analyzing liquid solvation structure.☆54Nov 26, 2025Updated 7 months ago
- Computational chemistry software tutorials☆27Jan 15, 2019Updated 7 years ago
- Tutorials and data necessary to reproduce the results of publication Machine Learning Coarse-Grained Potentials of Protein Thermodynamics☆92Jan 27, 2025Updated last year
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- ☆21Jul 16, 2020Updated 6 years ago
- Automated calculation of cavity in molecular cages☆27Dec 7, 2025Updated 7 months ago
- Parallel algorithms for MDAnalysis☆31Aug 2, 2024Updated last year
- A simple Lennard-Jones molecular dynamics software☆30Jul 10, 2024Updated 2 years ago
- Flexible storage of chemical topology for molecular simulation☆72Updated this week
- GaudiMM: A modular optimization platform for molecular design☆32May 10, 2024Updated 2 years ago
- ☆13Jul 11, 2026Updated 2 weeks ago
- Features Based Conformational Clustering of MD trajectories. See details at:☆11Nov 20, 2025Updated 8 months ago
- Unified Free Energy Dynamics (UFED) simulations with OpenMM☆36Aug 20, 2025Updated 11 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.
- A collection of heat engines, based on the OpenAI Gym environment framework for use with reinforcement learning applications.☆15Dec 20, 2021Updated 4 years ago
- ☆16Mar 8, 2024Updated 2 years ago
- A fast, clean, and composable toolkit for molecular modeling☆47Updated this week
- MDAnalysis tool to calculate membrane curvature.☆36Updated this week
- An automated framework for generating optimized partial charges for molecules☆39Jul 6, 2026Updated 2 weeks ago
- Package for reading, analysis and visualization of metadynamics HILLS☆41Nov 28, 2023Updated 2 years ago
- Source code for "Nucleosome plasticity is a critical element of chromatin liquid–liquid phase separation and multivalent nucleosome inter…☆13Jun 17, 2022Updated 4 years ago