A Highly Opinionated List of Open Source Materials Informatics Resources
☆151Feb 18, 2022Updated 4 years ago
Alternatives and similar repositories for resources
Users that are interested in resources are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Curated list of known efforts in materials informatics, i.e. in modern materials science☆506Mar 24, 2026Updated last month
- Things that you should (and should not) do in your Materials Informatics research.☆202Nov 17, 2023Updated 2 years ago
- MSE5540/6640 Materials Informatics course at the University of Utah. Learn how data science tools are revolutionizing materials science!☆227Apr 7, 2026Updated 3 weeks ago
- Generative deep learning model for inorganic materials☆20Mar 24, 2023Updated 3 years ago
- A list of databases, datasets and books/handbooks where you can find materials properties for machine learning applications.☆426Apr 24, 2026Updated last week
- 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.
- ☆14Jul 13, 2022Updated 3 years ago
- Predict materials properties using only the composition information!☆124Apr 23, 2023Updated 3 years ago
- A Python package for adding uncertainties to neural network models of chemical systems.☆27Jul 5, 2022Updated 3 years ago
- Data mining for materials science☆581Apr 20, 2026Updated last week
- gpvdm☆11Apr 7, 2022Updated 4 years ago
- Tool to quickly create a composition-based feature vector☆29Mar 30, 2022Updated 4 years ago
- Predict materials properties using only the composition information!☆17Jun 4, 2025Updated 10 months ago
- ☆103Sep 16, 2025Updated 7 months ago
- Training materials☆21Dec 3, 2019Updated 6 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.
- ☆16Jan 30, 2022Updated 4 years ago
- ChemML is a machine learning and informatics program suite for the chemical and materials sciences.☆174Apr 24, 2026Updated last week
- Python Topological Materials (pytopomat) is a code for easy, high-throughput analysis of topological materials.☆30May 17, 2021Updated 4 years ago
- python interface to isotropy☆16Aug 12, 2020Updated 5 years ago
- A Highly Opinionated List of Open Source Cheminformatics Resources☆198Nov 19, 2020Updated 5 years ago
- Specification of a common REST API for access to materials databases☆105Apr 24, 2026Updated last week
- Python for Materials Machine Learning, Materials Descriptors, Machine Learning Force Fields, Deep Learning, etc.☆453Apr 6, 2026Updated 3 weeks ago
- A software for automating materials science computations☆35Apr 20, 2026Updated last week
- ☆14Jun 30, 2024Updated last year
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- A python library for accessing the ICSD API Client. Under no affiliation with Fitz-Karlsruhe, please see https://icsd.fiz-karlsruhe.de/in…☆20Nov 20, 2024Updated last year
- Public release of data and code for materials synthesis generation☆76Aug 11, 2022Updated 3 years ago
- Software for evaluating pareto-optimal synthesis pathways☆24Jun 10, 2024Updated last year
- image-based generative model for inverse design of solid state materials☆44Feb 18, 2022Updated 4 years ago
- ⚗️ matador is an aggregator, manipulator and runner of first-principles calculations, written with a bent towards battery 🔋 electrode ma…☆35Feb 1, 2026Updated 3 months ago
- Python package to aid materials design and informatics☆133Apr 21, 2026Updated last week
- Synthesis generative model☆47Apr 24, 2025Updated last year
- Deep Learning the Chemistry of Materials From Only Elemental Composition for Enhancing Materials Property Prediction☆103Jan 13, 2026Updated 3 months ago
- Honegumi (骨組み) is an interactive "skeleton code" generator for API tutorials focusing on optimization packages.☆71Nov 25, 2025Updated 5 months ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Common NLP (text mining) tools for materials science and chemistry, for groups at Lawrence Berkeley National Lab (LBNL) and beyond.☆22Jul 8, 2022Updated 3 years ago
- A knowledge graph for Materials Science.☆75Nov 4, 2024Updated last year
- ☆17Mar 24, 2025Updated last year
- Inorganic Reaction Prediction☆11Jul 25, 2024Updated last year
- A toolkit for visualizations in materials informatics.☆312Apr 9, 2026Updated 3 weeks ago
- An automatic engine for predicting materials properties.☆169Nov 12, 2023Updated 2 years ago
- atomate is a powerful software for computational materials science and contains pre-built workflows.☆261Jul 18, 2024Updated last year