☆42Mar 28, 2026Updated 2 weeks ago
Alternatives and similar repositories for pyrho
Users that are interested in pyrho are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Helpers for working with pymatgen structure graphs.☆12Feb 4, 2025Updated last year
- materials science related animations☆13Jan 9, 2025Updated last year
- Comprehensive input/output validator. Made with the purpose of ensuring VASP calculations are compatible with Materials Project data, wit…☆14Jan 23, 2026Updated 2 months ago
- Use time-splits for Materials Project entries for generative modeling benchmarking.☆12Mar 12, 2026Updated last month
- A python-based crystal viewer built upon the fresnel and pymatgen libraries.☆16May 20, 2024Updated last year
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting with the flexibility to host WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Cloudways by DigitalOcean.
- python interface to isotropy☆15Aug 12, 2020Updated 5 years ago
- Computing representations for atomistic machine learning☆79Apr 2, 2026Updated last week
- ☆15Nov 29, 2023Updated 2 years ago
- Python package to simulate differential absorption spectra of crystals from first principles☆33Dec 21, 2025Updated 3 months ago
- ⚛ download and manipulate atomistic datasets☆49Nov 25, 2025Updated 4 months ago
- ☆17Mar 24, 2025Updated last year
- Library for Crystal Symmetry in Rust☆70Updated this week
- A python library for calculating materials properties from the PES☆136Updated this week
- An interface between the Materials Project software suite and the Schrodinger Python API, designed to allow for high-throughput execution…☆13Apr 8, 2024Updated 2 years ago
- 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.
- An algorithm to match crystal structures atom-to-atom☆53Feb 27, 2023Updated 3 years ago
- A crystallographic visualizer for Python, compatible with files from common softwares like Quantum ESPRESSO, VASP, CP2K, etc.☆22Oct 15, 2024Updated last year
- Building blocks for scientific data pipelines☆43Updated this week
- Code for automated fitting of machine learned interatomic potentials.☆142Mar 9, 2026Updated last month
- Band structure unfolding made easy!☆62Mar 1, 2026Updated last month
- Parallel C/Python package for numerical analysis of PAW DFT wavefunctions☆36Nov 2, 2021Updated 4 years ago
- Coarse-graining Hybrid and Inorganic Crystals (CHIC) is a Python package for automating the cleaning-up and coarse-graining of crystals a…☆14Nov 18, 2024Updated last year
- ☆10Sep 26, 2025Updated 6 months ago
- A set of utilities and pedagogic notebooks for the use of linear and kernel methods in atomistic modeling☆25Oct 27, 2023Updated 2 years ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- [npj Comp. Mat.] Higher-order equivariant neural networks for charge density prediction in materials☆71Feb 21, 2025Updated last year
- Generating k-point grids with the best folding ratio or fewest irreducible k-points for a given density☆40Aug 12, 2024Updated last year
- On-the-fly generator of space-group irreducible representations☆56Updated this week
- Vote on whether you think predicted crystal structures could be synthesised☆18Jul 29, 2024Updated last year
- Electronegativity equilibration model for atomic partial charges☆23Mar 9, 2026Updated last month
- ☆23Mar 5, 2026Updated last month
- Be a master builder of databases of material properties. Avoid the Kragle.☆67Updated this week
- MatID is a python package for identifying and analyzing atomistic systems based on their structure. MatID is designed to help researchers…☆23Nov 28, 2023Updated 2 years ago
- VASP - Localized Orbital Locator + Electron Localizability Indicator☆18Dec 18, 2022Updated 3 years ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- WhereWulff: A semi-autonomous workflow for systematic catalyst surface reactivity under reaction conditions☆33Apr 8, 2024Updated 2 years ago
- Mr. Network is a python reaction-network for molecular systems☆11Jun 22, 2022Updated 3 years ago
- MatTen: Equivariant Graph Neural Nets for Tensorial Properties of Materials☆43Mar 14, 2026Updated 3 weeks ago
- Specification of a common REST API for access to materials databases☆104Feb 6, 2026Updated 2 months ago
- A quick tutorial for modern materials science, should the reader be not familiar with it and just wishing to crack the data☆16Aug 24, 2025Updated 7 months ago
- MaterialsCoord: infrastructure to benchmark crystal structure coordination algorithms☆20Mar 13, 2023Updated 3 years ago
- atomate2 is a library of computational materials science workflows☆293Updated this week