Workflow management for signac-managed data spaces.
☆49Jul 31, 2025Updated 11 months ago
Alternatives and similar repositories for signac-flow
Users that are interested in signac-flow are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Rapidly visualize signac projects through a customizable dashboard interface.☆16Updated this week
- Manage large and heterogeneous data spaces on the file system.☆145Updated this week
- Read and write GSD files for use with HOOMD-blue.☆31Jun 29, 2026Updated last week
- Examples for the signac framework.☆15Updated this week
- Powerful, efficient particle trajectory analysis in scientific Python.☆324Updated this week
- 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.
- A lightweight package with the periodic table of the elements☆12Apr 1, 2021Updated 5 years ago
- HOOMD-blue example scripts.☆39Updated this week
- Molecular dynamics and Monte Carlo soft matter simulation on GPUs.☆438Updated this week
- A library to generate numerical descriptions of particle systems.☆13Aug 16, 2021Updated 4 years ago
- Conda recipes for Glotzer Lab software on HPC resources☆11Jun 24, 2026Updated last week
- Sample molecular simulation workflows using a MoSDeF and community tools☆17Jul 19, 2022Updated 3 years ago
- A Python package for working with quaternions.☆30Jun 29, 2026Updated last week
- NanoOpt: Deriving potentials for coarse-grained nanoparticles via potential-matching☆11Oct 8, 2021Updated 4 years ago
- A collection of scripts for pairing OVITO with freud and other Glotzer lab packages☆16Jun 22, 2026Updated 2 weeks ago
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- Physical validation of molecular simulations☆65Apr 6, 2026Updated 2 months ago
- Flexible storage of chemical topology for molecular simulation☆69Updated this week
- Algorithms for various Network Layouts and Tooling for planning FE Calculations☆24Updated this week
- A VMD molfile plugin reader for HOOMD-blue GSD files.☆21Apr 6, 2026Updated 2 months ago
- A plugin that allows the use of Tensorflow in Hoomd-Blue for GPU-accelerated ML+MD☆33Aug 3, 2024Updated last year
- A hierarchical, component based molecule builder☆218Updated this week
- MoSDeF-GOMC: Python software for the creation of scientific workflows for the Monte Carlo simulation engine GOMC☆17May 25, 2026Updated last month
- Build hydrogen atoms from united-atom molecular dynamics of lipids and calculate the order parameters.☆16Dec 20, 2022Updated 3 years ago
- A package for atom-typing as well as applying and disseminating forcefields☆143Updated this week
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- ☆11Apr 16, 2021Updated 5 years ago
- A typo correction and word prediction borrowed from Android, made for Python, Linux, Mac, Windows ...☆17Nov 21, 2019Updated 6 years ago
- Flexible Library of Organic Workflows and Extensible Recipes for Molecular Dynamics.☆22Updated this week
- A package for deriving coarse-grain potentials using MultiState Iterative Boltzmann Inversion (MS-IBI)☆19Jun 2, 2026Updated last month
- A generalized deep learning approach for local structure identification in molecular simulations. See https://doi.org/10.1039/C9SC02097G …☆17Jun 25, 2020Updated 6 years ago
- A HOOMD-blue component for soft matter simulations.☆27Updated this week
- Computational materials design, with less code.☆13Jun 22, 2026Updated 2 weeks ago
- Parallel programming with Python exercises☆13Feb 18, 2025Updated last year
- Library for computing anisotropy extension to SOAP descriptors☆11Jun 26, 2026Updated last week
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- Probabilistic Inference for NOvel Therapeutics☆15Feb 5, 2022Updated 4 years ago
- ☆16Updated this week
- The Open Knowledgebase of Interatomic Models (OpenKIM) aims to be an online resource for standardized testing, long-term warehousing and …☆37Mar 6, 2026Updated 4 months ago
- Python implementation of the multistate Bennett acceptance ratio (MBAR)☆308Feb 12, 2026Updated 4 months ago
- Efficient visualization of particle data supporting several rendering engines.☆15Dec 10, 2021Updated 4 years ago
- Toolkit for open antiviral drug discovery by the ASAP Discovery Consortium☆50Jun 23, 2026Updated last week
- Cassandra is a Monte Carlo package to conduct atomistic simulations.☆56Nov 4, 2025Updated 8 months ago