Data mining for materials science
☆610Aug 3, 2026Updated last week
Alternatives and similar repositories for matminer
Users that are interested in matminer are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- An automatic engine for predicting materials properties.☆172Nov 12, 2023Updated 2 years ago
- A repo of examples for the matminer (https://github.com/hackingmaterials/matminer) code☆125Jun 7, 2021Updated 5 years ago
- atomate is a powerful software for computational materials science and contains pre-built workflows.☆263Jul 18, 2024Updated 2 years ago
- Python Materials Genomics (pymatgen) is a robust materials analysis code that defines classes for structures and molecules with support f…☆1,939Updated this week
- Jupyter notebooks demonstrating the utilization of open-source codes for the study of materials science.☆291Jun 1, 2026Updated 2 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.
- Curated list of known efforts in materials informatics, i.e. in modern materials science☆525Mar 24, 2026Updated 4 months ago
- Python for Materials Machine Learning, Materials Descriptors, Machine Learning Force Fields, Deep Learning, etc.☆464Jul 27, 2026Updated 2 weeks ago
- Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals☆558Apr 27, 2023Updated 3 years ago
- Crystal graph convolutional neural networks for predicting material properties.☆887Sep 6, 2021Updated 4 years ago
- Matbench: Benchmarks for materials science property prediction☆214Aug 20, 2024Updated last year
- Heavyweight plotting tools for ab initio calculations☆255Apr 9, 2026Updated 4 months ago
- Graph deep learning library for materials☆564Updated this week
- DScribe is a python package for creating machine learning descriptors for atomistic systems.☆472Apr 18, 2026Updated 3 months ago
- Automatic generation of crystal structure descriptions.☆141Jun 15, 2026Updated last month
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- MODNet: a framework for machine learning materials properties☆112May 2, 2025Updated last year
- libAtoms/QUIP molecular dynamics framework: https://libatoms.github.io☆399Jul 5, 2026Updated last month
- A knowledge graph for Materials Science.☆77Nov 4, 2024Updated last year
- Predict materials properties using only the composition information!☆130Apr 23, 2023Updated 3 years ago
- The Materials Project Workshop Curriculum☆121Mar 1, 2023Updated 3 years ago
- A code to generate atomic structure with symmetry☆381Updated this week
- Pretrained universal neural network potential for charge-informed atomistic modeling https://chgnet.lbl.gov☆398Feb 19, 2026Updated 5 months ago
- XenonPy is a Python Software for Materials Informatics☆158Jul 15, 2024Updated 2 years ago
- atomate2 is a library of computational materials science workflows☆335Aug 3, 2026Updated last week
- 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.
- About JARVIS-Tools: an open-source software package for data-driven atomistic materials design. Publications: https://scholar.google.com/…☆391Aug 25, 2025Updated 11 months ago
- Python package to aid materials design and informatics☆141Updated this week
- ⚗️ matador is an aggregator, manipulator and runner of first-principles calculations, written with a bent towards battery 🔋 electrode ma…☆35Feb 1, 2026Updated 6 months ago
- An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]☆375Aug 14, 2024Updated last year
- quacc is a flexible platform for computational materials science and quantum chemistry that is built for the big data era.☆275Updated this week
- Things that you should (and should not) do in your Materials Informatics research.☆204Nov 17, 2023Updated 2 years ago
- Generative deep learning model for inorganic materials☆20Mar 24, 2023Updated 3 years ago
- Public repo for Materials API documentation☆145Aug 20, 2022Updated 3 years ago
- Crystal Toolkit is a framework for building web apps for materials science and is currently powering the new Materials Project website.☆201Jul 21, 2026Updated 2 weeks 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.
- Open-source library for analyzing the results produced by ABINIT☆142Updated this week
- A machine learning environment for atomic-scale modeling in surface science and catalysis.☆122Jun 28, 2024Updated 2 years ago
- A suite of computational materials science tools.☆145Jun 29, 2026Updated last month
- An evaluation framework for machine learning models simulating high-throughput materials discovery.☆243Updated this week
- A toolkit for visualizations in materials informatics.☆323Jul 31, 2026Updated last week
- A simple, robust and flexible just-in-time job management framework in Python.☆183Aug 3, 2026Updated last week
- Materials science with Python at the atomic-scale☆238Updated this week