Flexible storage of chemical topology for molecular simulation
☆76Oct 29, 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 hierarchical, component based molecule builder☆231Oct 27, 2026Updated last week
- ☆12Apr 16, 2021Updated 5 years ago
- A lightweight package with the periodic table of the elements☆12Apr 1, 2021Updated 5 years ago
- Functions for analyzing molecular simulations according to scattering experiments☆10Aug 20, 2021Updated 5 years ago
- Sample molecular simulation workflows using a MoSDeF and community tools☆19Jul 19, 2022Updated 4 years 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 package for atom-typing as well as applying and disseminating forcefields☆149Oct 27, 2026Updated last week
- 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☆25Sep 23, 2025Updated last year
- A project (and object) for storing, manipulating, and converting molecular mechanics data.☆97Updated this week
- Physical validation of molecular simulations☆66Oct 5, 2026Updated 3 weeks ago
- Cassandra is a Monte Carlo package to conduct atomistic simulations.☆58Oct 24, 2026Updated last week
- Force fields produced by the Open Force Field Initiative☆195Oct 8, 2026Updated 3 weeks ago
- Rapidly visualize signac projects through a customizable dashboard interface.☆16Updated this week
- MoSDeF-GOMC: Python software for the creation of scientific workflows for the Monte Carlo simulation engine GOMC☆17Oct 19, 2026Updated 2 weeks ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- MoSDeF compatible wrapper for Cassandra Monte Carlo code☆15Nov 12, 2024Updated last year
- Development of High-Throughput Polymer Network Atomistic Simulation☆35Oct 25, 2026Updated last week
- A package for deriving coarse-grain potentials using MultiState Iterative Boltzmann Inversion (MS-IBI)☆20Sep 17, 2026Updated last month
- Flexible Library of Organic Workflows and Extensible Recipes for Molecular Dynamics.☆26Updated this week
- A set of tutorials to introduce new users to the MoSDeF (Molecular Simulation Design Framework) toolkit☆28Apr 1, 2024Updated 2 years ago
- NanoOpt: Deriving potentials for coarse-grained nanoparticles via potential-matching☆12Oct 8, 2021Updated 5 years ago
- Automated tools for submitting molecules to QCFractal☆27Oct 6, 2026Updated 3 weeks ago
- The Surface Assessment via Grid Evaluation (SuAVE) software was developed to account for the effect of curvature in the calculations of s…☆12Jun 7, 2026Updated 4 months ago
- The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation avai…☆417Updated this week
- 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.
- Workflow management for signac-managed data spaces.☆49Jul 9, 2026Updated 3 months ago
- Xlink is a Python script that uses Gromacs to automatically perfom simulation crosslinking and generate atomistic model of aromatic polya…☆18Jul 8, 2023Updated 3 years ago
- Extensible Surrogate Potential of Ab initio Learned and Optimized by Message-passing Algorithm 🍹https://arxiv.org/abs/2010.01196☆282Apr 16, 2026Updated 6 months ago
- Conda recipes for Glotzer Lab software on HPC resources☆11Sep 22, 2026Updated last month
- The peleffy (PELE Force Field Yielder) is a Python package that builds PELE-compatible force field templates.☆13Mar 31, 2026Updated 7 months ago
- An interactive structure viewer alongside its simulated diffraction pattern☆19Oct 19, 2026Updated 2 weeks ago
- Python implementation of the multistate Bennett acceptance ratio (MBAR)☆319Feb 12, 2026Updated 8 months ago
- A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine.☆342Oct 27, 2026Updated last week
- Universal PET models in JAX☆12Updated this week
- 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.
- Perform polymerization and crosslinking in MARTINI coarse-grained forcefield using GROMACS MD package☆32Jan 21, 2026Updated 9 months ago
- Build hydrogen atoms from united-atom molecular dynamics of lipids and calculate the order parameters.☆16Dec 20, 2022Updated 3 years ago
- Molecular dynamics and Monte Carlo soft matter simulation on GPUs.☆456Updated this week
- Reactive MD pipeline for GROMACS using Kinetic Monte Carlo / Molecular Dynamics (KIMMDY)☆26Oct 26, 2026Updated last week
- HOOMD-blue example scripts.☆40Oct 22, 2026Updated last week
- DFTB+ general package for performing fast atomistic simulations☆440Oct 22, 2026Updated last week
- Python interface for Enhanced Monte Carlo (EMC)☆26Oct 19, 2026Updated 2 weeks ago