A generalized deep learning approach for local structure identification in molecular simulations. See https://doi.org/10.1039/C9SC02097G for full details.
☆17Jun 25, 2020Updated 6 years ago
Alternatives and similar repositories for GenStrIde
Users that are interested in GenStrIde are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆15Feb 17, 2019Updated 7 years ago
- Conda recipes for Glotzer Lab software on HPC resources☆11Jul 13, 2026Updated last week
- Physical validation of molecular simulations☆65Jul 6, 2026Updated 2 weeks ago
- A typo correction and word prediction borrowed from Android, made for Python, Linux, Mac, Windows ...☆17Nov 21, 2019Updated 6 years ago
- A library to generate numerical descriptions of particle systems.☆13Aug 16, 2021Updated 4 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- Rapidly visualize signac projects through a customizable dashboard interface.☆16Jul 9, 2026Updated last week
- Polyhedral Template Matching algorithm for analysis of molecular dynamics simulation data☆22Mar 22, 2020Updated 6 years ago
- A lightweight package with the periodic table of the elements☆12Apr 1, 2021Updated 5 years ago
- Sample molecular simulation workflows using a MoSDeF and community tools☆17Jul 19, 2022Updated 4 years ago
- A lightweight C++11 Monte Carlo molecular simulation engine☆10Aug 1, 2017Updated 8 years ago
- HOOMD-blue example scripts.☆39Jun 29, 2026Updated 2 weeks ago
- A set of tutorials to introduce new users to the MoSDeF (Molecular Simulation Design Framework) toolkit☆27Apr 1, 2024Updated 2 years ago
- An open source application for the quick analysis of titration data.☆12May 1, 2021Updated 5 years ago
- Bottom-up Open-source Coarse-graining Software☆24Jun 12, 2026Updated last month
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- This repo contains the code demonstrated in the Analytics Vidhya article about PyWebIO usage and the ML model prediction code.☆10Apr 22, 2021Updated 5 years ago
- A Python package for working with quaternions.☆30Jun 29, 2026Updated 3 weeks ago
- ☆36Jan 27, 2025Updated last year
- Clear My Record is a project to assist people the process of expunging their criminal convictions.☆10Nov 5, 2018Updated 7 years ago
- A generic and fast solver of mode-coupling theory-like integrodifferential equations☆21Oct 10, 2025Updated 9 months ago
- Website for the ICML 2021 tutorial on Random Matrix Theory and Machine Learning☆16Dec 8, 2021Updated 4 years ago
- Best Practices article intended for LiveCoMS☆43Mar 26, 2026Updated 3 months ago
- A curated list of awesome governance resources☆20Aug 31, 2019Updated 6 years ago
- Pytorch code for Sampling in Combinatorial Spaces with SurVAE Flow Augmented MCMC☆11Mar 1, 2021Updated 5 years 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.
- This reaxFF LAMMPS script can be used to simulate the oxidation of nanomaterials, followed by cooling and thermal equilibration. Finally,…☆14Jul 29, 2022Updated 3 years ago
- NN PES for reactions.☆11May 27, 2022Updated 4 years ago
- Python Scripts for the book: Ab Initio Simulations in Materials Science: Hands-On Introduction to Electronic Structure Modeling with VASP…☆15Jul 31, 2025Updated 11 months ago
- Read and write GSD files for use with HOOMD-blue.☆31Jul 13, 2026Updated last week
- Graph Learning of INTER-protein contacts☆10Feb 20, 2022Updated 4 years ago
- JeLLyFysh - a Python application for all-atom event-chain Monte Carlo. Version 1.0 (August 1st, 2019)☆16Jul 7, 2023Updated 3 years ago
- An introductory course on computational physics taught at the University of Vermont☆11Dec 3, 2021Updated 4 years ago
- Benchmark of Python JSON libraries☆14Feb 3, 2019Updated 7 years ago
- A plugin that allows the use of Tensorflow in Hoomd-Blue for GPU-accelerated ML+MD☆33Aug 3, 2024Updated last year
- 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.
- ☆10Dec 4, 2021Updated 4 years ago
- Learning free energy landscapes using artificial neural networks☆15Nov 30, 2017Updated 8 years ago
- Application for data analysis and curve fitting☆41Jul 4, 2026Updated 2 weeks ago
- Create minimal docker images from conda environments☆62Aug 15, 2023Updated 2 years ago
- ☆11Jul 18, 2022Updated 4 years ago
- Electron-passing neural networks for charge partitioning in quantum chemistry☆10Dec 21, 2022Updated 3 years ago
- Workflow management for signac-managed data spaces.☆49Jul 9, 2026Updated last week