Things that you should (and should not) do in your Materials Informatics research.
☆206Nov 17, 2023Updated 2 years ago
Alternatives and similar repositories for BestPractices
Users that are interested in BestPractices are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- MSE5540/6640 Materials Informatics course at the University of Utah. Learn how data science tools are revolutionizing materials science!☆258Jul 23, 2026Updated 2 months ago
- Tool to quickly create a composition-based feature vector☆33Mar 30, 2022Updated 4 years ago
- Code to help you get started using machine learning in materials science☆20Apr 5, 2019Updated 7 years ago
- Honegumi (骨組み) is an interactive "skeleton code" generator for API tutorials focusing on optimization packages.☆76Jun 24, 2026Updated 3 months ago
- A Highly Opinionated List of Open Source Materials Informatics Resources☆156Feb 18, 2022Updated 4 years ago
- 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.
- Curated list of known efforts in materials informatics, i.e. in modern materials science☆532Mar 24, 2026Updated 6 months ago
- A list of databases, datasets and books/handbooks where you can find materials properties for machine learning applications.☆461Jul 17, 2026Updated 2 months ago
- Software and instructions for setting up and running a self-driving lab (autonomous experimentation) demo using dimmable RGB LEDs, an 8-c…☆88Jul 29, 2026Updated 2 months ago
- Encode/decode a crystal structure to/from a grayscale PNG image for direct use with image-based machine learning models such as Palette.☆39Oct 4, 2023Updated 3 years ago
- RAGSkeleton: A foundational, modular framework for building customizable Retrieval-Augmented Generation (RAG) systems across any domain.☆14Jun 24, 2025Updated last year
- Predict materials properties using only the composition information!☆133Apr 23, 2023Updated 3 years ago
- Data mining for materials science☆617Updated this week
- ☆13May 13, 2022Updated 4 years ago
- The latest stable release for the crystal structure prediction code FUSE☆13Oct 28, 2025Updated 11 months ago
- 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.
- MAterials Simulation Toolkit for Machine Learning (MAST-ML)☆129Oct 10, 2025Updated last year
- A toolkit for visualizations in materials informatics.☆336Oct 3, 2026Updated last week
- ☆14Sep 29, 2026Updated last week
- Local Environment-based Atomic Features☆13Dec 19, 2024Updated last year
- XenonPy is a Python Software for Materials Informatics☆159Jul 15, 2024Updated 2 years ago
- Automatic generation of crystal structure descriptions.☆142Jun 15, 2026Updated 3 months ago
- RunAI&KG prize winner of the 2024 LLM hackathon in materials and chemistry. Create a glossary out of your manuscript in materials and che…☆12Aug 15, 2025Updated last year
- Python for Materials Machine Learning, Materials Descriptors, Machine Learning Force Fields, Deep Learning, etc.☆466Updated this week
- MODNet: a framework for machine learning materials properties☆114May 2, 2025Updated last year
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- An automatic engine for predicting materials properties.☆176Nov 12, 2023Updated 2 years ago
- A python-based crystal viewer built upon the fresnel and pymatgen libraries.☆16May 20, 2024Updated 2 years ago
- A materials discovery algorithm geared towards exploring high-performance candidates in new chemical spaces.☆47Aug 20, 2024Updated 2 years ago
- ☆55Jul 1, 2026Updated 3 months ago
- A repo of examples for the matminer (https://github.com/hackingmaterials/matminer) code☆126Jun 7, 2021Updated 5 years ago
- Machine learning guided optimal composition selection for high strength Niobium alloy☆12May 30, 2023Updated 3 years ago
- Software for evaluating pareto-optimal synthesis pathways☆23Jun 10, 2024Updated 2 years ago
- py-sc-fermi is a materials modelling code for calculating self-consistent Fermi energies and defect concentrations under thermodynamic eq…☆34Sep 11, 2026Updated 3 weeks ago
- Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals☆558Apr 27, 2023Updated 3 years 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.
- Microcourses hosted by the Acceleration Consortium for self-driving lab topics.☆37Updated this week
- A toolkit for querying data in OQMD.☆23Jan 2, 2022Updated 4 years ago
- Matbench: Benchmarks for materials science property prediction☆220Aug 20, 2024Updated 2 years ago
- Deep Learning the Chemistry of Materials From Only Elemental Composition for Enhancing Materials Property Prediction☆104Jan 13, 2026Updated 8 months ago
- Querying databases, Organizing and Plotting Data: Query Pymatgen for properties like Young's modulus and melting temperature Organize dat…☆17Aug 18, 2021Updated 5 years ago
- Code for automated fitting of machine learned interatomic potentials.☆162Updated this week
- ☆103Sep 16, 2025Updated last year