Python interface to the SISSO (Sure Independence Screening and Sparsifying Operator) method.
☆64Apr 24, 2024Updated 2 years ago
Alternatives and similar repositories for pysisso
Users that are interested in pysisso 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 data-driven method combining symbolic regression and compressed sensing for accurate & interpretable models.☆359Jan 26, 2026Updated 3 months ago
- A data-driven method combining symbolic regression and compressed sensing toward accurate & interpretable models.☆23Sep 9, 2021Updated 4 years ago
- Modules for cross validation, evaluation and plot of SISSO☆16Oct 22, 2019Updated 6 years ago
- ☆39Aug 13, 2025Updated 8 months ago
- materials science related animations☆13Jan 9, 2025Updated last year
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- Helpers for working with pymatgen structure graphs.☆12Feb 4, 2025Updated last year
- Local Environment-based Atomic Features☆13Dec 19, 2024Updated last year
- pymatgen-analysis-alloys is an add-on package for pymatgen intended to contain useful classes for describing alloy systems and analyzing …☆16Apr 24, 2026Updated 2 weeks ago
- Porosity analysis tool☆19Oct 22, 2021Updated 4 years ago
- An attention-based deep neural network for thermoelectric transport properties☆18Apr 5, 2023Updated 3 years ago
- This git repository will serve as a companion to a forthcoming chapter in "Quantum Chemistry in the Age of Machine Learning"☆14Jul 22, 2024Updated last year
- MatDeepLearn, package for graph neural networks in materials chemistry☆204Mar 20, 2023Updated 3 years ago
- Distributed representations of atoms, inspired by the Skip-gram model☆28Jul 16, 2023Updated 2 years ago
- Benchmark of crystal structure prediction algorithms☆15Jun 9, 2025Updated 11 months ago
- 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.
- Universal atomic embedding based on crystalTransfomer☆25Jan 11, 2025Updated last year
- A PyMOL plugin for visualizing vibrations in molecules and solids☆44Oct 8, 2025Updated 7 months 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
- tools for graph-based machine-learning potentials in jax☆27Apr 9, 2024Updated 2 years ago
- This repository contains the official PyTorch implementation of MatRIS.☆37Nov 7, 2025Updated 6 months ago
- Data Science for Materials - Collection of Open Educational Resources☆17Jun 18, 2025Updated 10 months ago
- A collection of files related to machine learning force fields☆22Oct 25, 2023Updated 2 years ago
- ☆16Oct 8, 2023Updated 2 years ago
- An algorithm to match crystal structures atom-to-atom☆53Feb 27, 2023Updated 3 years ago
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- Python package for detecting spin space group on top of spglib☆21Oct 29, 2025Updated 6 months ago
- A Benchmarking Framework for Crystal GNNs☆21Jan 3, 2024Updated 2 years ago
- Repo for the paper publishing the superconductor database with 3D crystal structures.☆26Nov 21, 2024Updated last year
- Make periodic table map plots and pettifor-style trend plots.☆28Apr 9, 2018Updated 8 years ago
- ☆21Oct 10, 2024Updated last year
- Suite of Python scripts for Perturbo testing and postprocessing☆17Oct 2, 2025Updated 7 months ago
- This repository contains neccessary code to train AnisoNet, an equivariant graph neural network for predicting dielectric tensors of crys…☆13Feb 20, 2026Updated 2 months ago
- A Large Language Model of the CIF format for Crystal Structure Generation☆159Mar 16, 2026Updated last month
- [MGE Advances 2025] Offical implement of BgoFace☆19Jan 13, 2026Updated 3 months ago
- 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.
- MatTen: Equivariant Graph Neural Nets for Tensorial Properties of Materials☆43Mar 14, 2026Updated last month
- The materials for the Spring Mathematics in Materials course at the UTK MSE☆50May 21, 2024Updated last year
- An overview over chemical datasets and where to find them☆17Aug 29, 2023Updated 2 years ago
- Tutorial files to work with ML for the charge density in molecules and solids☆12Feb 22, 2023Updated 3 years ago
- Python package to simulate differential absorption spectra of crystals from first principles☆33Dec 21, 2025Updated 4 months ago
- Chemically Directed Atom Swap Hopping -- Crystal structure prediction by swapping atoms in unfavourable chemical environments☆22Apr 19, 2023Updated 3 years ago
- ☆103Sep 16, 2025Updated 7 months ago