☆43Aug 28, 2026Updated this week
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.☆11Feb 4, 2025Updated last year
- materials science related animations☆13Jan 9, 2025Updated last year
- CGCNN with personal modifications for defect calculations☆15Jan 19, 2024Updated 2 years ago
- Comprehensive input/output validator. Made with the purpose of ensuring VASP calculations are compatible with Materials Project data, wit…☆16Aug 14, 2026Updated 2 weeks ago
- python interface to isotropy☆18Aug 12, 2020Updated 6 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- Use time-splits for Materials Project entries for generative modeling benchmarking.☆13Mar 12, 2026Updated 5 months ago
- A python-based crystal viewer built upon the fresnel and pymatgen libraries.☆16May 20, 2024Updated 2 years ago
- Computing representations for atomistic machine learning☆82Jul 22, 2026Updated last month
- ☆18Mar 24, 2025Updated last year
- ⚛ download and manipulate atomistic datasets☆49Nov 25, 2025Updated 9 months ago
- Python package to simulate differential absorption spectra of crystals from first principles☆33Dec 21, 2025Updated 8 months ago
- Library for Crystal Symmetry in Rust☆77Updated 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
- An algorithm to match crystal structures atom-to-atom☆53Feb 27, 2023Updated 3 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- Pymatgen Core☆25Aug 21, 2026Updated last week
- ☆16Nov 29, 2023Updated 2 years ago
- Building blocks for scientific data pipelines☆43Aug 10, 2026Updated 3 weeks ago
- A crystallographic visualizer for Python, compatible with files from common softwares like Quantum ESPRESSO, VASP, CP2K, etc.☆23Oct 15, 2024Updated last year
- A python library for calculating materials properties from the PES☆150Aug 11, 2026Updated 2 weeks ago
- 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…☆15Nov 18, 2024Updated last year
- Band structure unfolding made easy!☆67Jul 6, 2026Updated last month
- ☆10Sep 26, 2025Updated 11 months ago
- 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.
- Code for automated fitting of machine learned interatomic potentials.☆158Updated this week
- A set of utilities and pedagogic notebooks for the use of linear and kernel methods in atomistic modeling☆26Oct 27, 2023Updated 2 years ago
- Generating k-point grids with the best folding ratio or fewest irreducible k-points for a given density☆40Aug 12, 2024Updated 2 years ago
- pymatgen-analysis-alloys is an add-on package for pymatgen intended to contain useful classes for describing alloy systems and analyzing …☆19Apr 24, 2026Updated 4 months ago
- [npj Comp. Mat.] Higher-order equivariant neural networks for charge density prediction in materials☆75Feb 21, 2025Updated last year
- jobflow-remote is a Python package to run jobflow workflows on remote resources.☆40Aug 10, 2026Updated 2 weeks ago
- MatTen: Equivariant Graph Neural Nets for Tensorial Properties of Materials☆44May 28, 2026Updated 3 months ago
- On-the-fly generator of space-group irreducible representations☆59Aug 24, 2026Updated last week
- atomate2 is a library of computational materials science workflows☆343Updated 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.
- Vote on whether you think predicted crystal structures could be synthesised☆18Jul 29, 2024Updated 2 years ago
- Be a master builder of databases of material properties. Avoid the Kragle.☆70Aug 19, 2026Updated last week
- ☆23Aug 18, 2026Updated last week
- WhereWulff: A semi-autonomous workflow for systematic catalyst surface reactivity under reaction conditions☆32Apr 8, 2024Updated 2 years ago
- 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
- Specification of a common REST API for access to materials databases☆108Jul 3, 2026Updated last month
- Mr. Network is a python reaction-network for molecular systems☆11Jun 22, 2022Updated 4 years ago