Flexible storage of chemical topology for molecular simulation
☆73Aug 31, 2026Updated this week
Alternatives and similar repositories for gmso
Users that are interested in gmso are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- A lightweight package with the periodic table of the elements☆12Apr 1, 2021Updated 5 years ago
- ☆12Apr 16, 2021Updated 5 years ago
- Sample molecular simulation workflows using a MoSDeF and community tools☆18Jul 19, 2022Updated 4 years ago
- A hierarchical, component based molecule builder☆222Updated this week
- A package for atom-typing as well as applying and disseminating forcefields☆148Updated this week
- 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.
- A set of tutorials to introduce new users to mBuild☆11Jun 14, 2021Updated 5 years ago
- A Python library for constructing polymer topologies and coordinates☆22Sep 23, 2025Updated 11 months ago
- A project (and object) for storing, manipulating, and converting molecular mechanics data.☆97Updated this week
- Cassandra is a Monte Carlo package to conduct atomistic simulations.☆57Aug 13, 2026Updated 3 weeks ago
- Physical validation of molecular simulations☆65Jul 6, 2026Updated last month
- Rapidly visualize signac projects through a customizable dashboard interface.☆16Jul 29, 2026Updated last month
- MoSDeF-GOMC: Python software for the creation of scientific workflows for the Monte Carlo simulation engine GOMC☆17Updated this week
- NanoOpt: Deriving potentials for coarse-grained nanoparticles via potential-matching☆11Oct 8, 2021Updated 4 years ago
- Flexible Library of Organic Workflows and Extensible Recipes for Molecular Dynamics.☆23Updated this week
- 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.
- MoSDeF compatible wrapper for Cassandra Monte Carlo code☆15Nov 12, 2024Updated last year
- A package for deriving coarse-grain potentials using MultiState Iterative Boltzmann Inversion (MS-IBI)☆20Jun 2, 2026Updated 3 months ago
- Force fields produced by the Open Force Field Initiative☆190Jul 6, 2026Updated last month
- A set of tutorials to introduce new users to the MoSDeF (Molecular Simulation Design Framework) toolkit☆27Apr 1, 2024Updated 2 years ago
- Conda recipes for Glotzer Lab software on HPC resources☆11Aug 11, 2026Updated 3 weeks ago
- A VMD molfile plugin reader for HOOMD-blue GSD files.☆21Jul 6, 2026Updated last month
- An interactive structure viewer alongside its simulated diffraction pattern☆19Updated this week
- The peleffy (PELE Force Field Yielder) is a Python package that builds PELE-compatible force field templates.☆12Mar 31, 2026Updated 5 months ago
- Read and write GSD files for use with HOOMD-blue.☆31Updated this week
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation avai…☆411Aug 18, 2026Updated 2 weeks ago
- Workflow management for signac-managed data spaces.☆49Jul 9, 2026Updated last month
- Extensible Surrogate Potential of Ab initio Learned and Optimized by Message-passing Algorithm 🍹https://arxiv.org/abs/2010.01196☆278Apr 16, 2026Updated 4 months ago
- Powerful, efficient particle trajectory analysis in scientific Python.☆329Updated this week
- Notebooks demonstrating how to do simple tasks related to free energy calculations.☆69Updated this week
- A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine.☆340Updated this week
- Xlink is a Python script that uses Gromacs to automatically perfom simulation crosslinking and generate atomistic model of aromatic polya…☆17Jul 8, 2023Updated 3 years ago
- Python interface for Enhanced Monte Carlo (EMC)☆25Updated this week
- Python implementation of the multistate Bennett acceptance ratio (MBAR)☆317Feb 12, 2026Updated 6 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.
- Automated tools for submitting molecules to QCFractal☆27Aug 26, 2026Updated last week
- The future of Packmol☆43Aug 28, 2026Updated last week
- Development of High-Throughput Polymer Network Atomistic Simulation☆33Updated this week
- HOOMD-blue example scripts.☆39Updated this week
- Build hydrogen atoms from united-atom molecular dynamics of lipids and calculate the order parameters.☆16Dec 20, 2022Updated 3 years ago
- Perform polymerization and crosslinking in MARTINI coarse-grained forcefield using GROMACS MD package☆31Jan 21, 2026Updated 7 months ago
- Differentiable Markov Chain Monte Carlo☆15Mar 23, 2024Updated 2 years ago