A data-driven method combining symbolic regression and compressed sensing for accurate & interpretable models.
☆352Jan 26, 2026Updated last month
Alternatives and similar repositories for SISSO
Users that are interested in SISSO are comparing it to the libraries listed below
Sorting:
- Python interface to the SISSO (Sure Independence Screening and Sparsifying Operator) method.☆62Apr 24, 2024Updated last year
- Modules for cross validation, evaluation and plot of SISSO☆16Oct 22, 2019Updated 6 years ago
- A data-driven method combining symbolic regression and compressed sensing toward accurate & interpretable models.☆23Sep 9, 2021Updated 4 years ago
- ASE interface for fully constant potential with VASP☆42Oct 14, 2024Updated last year
- 高通量建立vasp模型和批量分析模型性质（High throughput VASP model and batch analysis model properties）☆13Aug 23, 2021Updated 4 years ago
- DScribe is a python package for creating machine learning descriptors for atomistic systems.☆460Sep 27, 2025Updated 5 months ago
- Solvation model for the plane wave DFT code VASP.☆171Oct 1, 2025Updated 5 months ago
- Crystal graph convolutional neural networks for predicting material properties.☆822Sep 6, 2021Updated 4 years ago
- ☆24Jan 22, 2026Updated last month
- A self-adaptive spin-constraining scheme based on cDFT, operating as an extension to VASP☆34Nov 10, 2024Updated last year
- Tutorial files to work with ML for the charge density in molecules and solids☆12Feb 22, 2023Updated 3 years ago
- A script for calculating Fermi-Softness.☆13Feb 17, 2022Updated 4 years ago
- Materials Project Tool : An useful tool for manipulating, analying and visualization input and output of materials simulation codes.☆18Dec 8, 2022Updated 3 years ago
- The deep potential generator to generate a deep-learning based model of interatomic potential energy and force field☆380Updated this week
- Magnetic critical temperature Calculator☆18Apr 2, 2024Updated last year
- SCAKS-Hub: A flask-powered web app for micro-kinetics analysis☆12Mar 5, 2019Updated 6 years ago
- About JARVIS-Tools: an open-source software package for data-driven atomistic materials design. Publications: https://scholar.google.com/…☆368Aug 25, 2025Updated 6 months ago
- A user friendly tools using Monte Carlo simulations for estimation of Curie temperature☆90Apr 3, 2025Updated 10 months ago
- Data mining for materials science☆573Updated this week
- ☆37Oct 8, 2019Updated 6 years ago
- WhereWulff: A semi-autonomous workflow for systematic catalyst surface reactivity under reaction conditions☆32Apr 8, 2024Updated last year
- A simple, robust and flexible just-in-time job management framework in Python.☆175Feb 2, 2026Updated last month
- Graph deep learning library for materials☆510Updated this week
- Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)☆70Mar 15, 2024Updated last year
- A repo of examples for the matminer (https://github.com/hackingmaterials/matminer) code☆121Jun 7, 2021Updated 4 years ago
- ☆77Apr 16, 2025Updated 10 months ago
- VaspCZ: an Efficient VASP Computation Assistant Program, with High Throughput Computing. 包含静态优化、过渡态计算、振动分析等☆125Feb 22, 2022Updated 4 years ago
- A suite of computational materials science tools.☆142Apr 3, 2024Updated last year
- Python Materials Genomics (pymatgen) is a robust materials analysis code that defines classes for structures and molecules with support f…☆1,816Feb 24, 2026Updated last week
- A Python package for adding uncertainties to neural network models of chemical systems.☆27Jul 5, 2022Updated 3 years ago
- Hybrid CS for ultrafast global optimization in materials science and other diverse fields. And, Hybrid CS SCRAPs is a Multinary Solid-S…☆12Sep 29, 2023Updated 2 years ago
- ☆73Mar 19, 2021Updated 4 years ago
- Python interface for VASP☆90Feb 9, 2026Updated 3 weeks ago
- ☆20Oct 18, 2022Updated 3 years ago
- Catalyst Micro-kinetic Analysis Package for automated creation of micro-kinetic models used in catalyst screening☆114Oct 8, 2024Updated last year
- A collection of python scripts that deal with VASP outpts, e.g. WAVECAR, POTCAR etc.☆269Updated this week
- General purpose tools for high-throughput catalysis☆102May 20, 2025Updated 9 months ago
- Manipulating VASP files with Python.☆290Jun 19, 2022Updated 3 years ago
- ☆12Feb 28, 2020Updated 6 years ago