A list of databases, datasets and books/handbooks where you can find materials properties for machine learning applications.
☆411Mar 6, 2026Updated this week
Alternatives and similar repositories for data-resources-for-materials-science
Users that are interested in data-resources-for-materials-science are comparing it to the libraries listed below
Sorting:
- Curated list of known efforts in materials informatics, i.e. in modern materials science☆492Aug 28, 2025Updated 6 months ago
- ☆103Sep 16, 2025Updated 5 months ago
- Things that you should (and should not) do in your Materials Informatics research.☆201Nov 17, 2023Updated 2 years ago
- MSE5540/6640 Materials Informatics course at the University of Utah. Learn how data science tools are revolutionizing materials science!☆221Updated this week
- This repository is no longer maintained. For the latest updates and continued development, please visit: https://github.com/atomgptlab/ja…☆95Jul 10, 2025Updated 7 months ago
- Tool to quickly create a composition-based feature vector☆29Mar 30, 2022Updated 3 years ago
- A Highly Opinionated List of Open Source Materials Informatics Resources☆147Feb 18, 2022Updated 4 years ago
- A toolkit for visualizations in materials informatics.☆303Updated this week
- DiffSyn: A Generative Diffusion Approach to Materials Synthesis Planning (Nature Computational Science, 2026)☆31Feb 10, 2026Updated 3 weeks ago
- A materials discovery algorithm geared towards exploring high-performance candidates in new chemical spaces.☆46Aug 20, 2024Updated last year
- The materials for the Fall ML in Materials course at the UTK MSE☆89Dec 11, 2023Updated 2 years ago
- Querying databases, Organizing and Plotting Data: Query Pymatgen for properties like Young's modulus and melting temperature Organize dat…☆14Aug 18, 2021Updated 4 years ago
- A quick tutorial for modern materials science, should the reader be not familiar with it and just wishing to crack the data☆16Aug 24, 2025Updated 6 months ago
- Data mining for materials science☆576Mar 2, 2026Updated last week
- Chemically Directed Atom Swap Hopping -- Crystal structure prediction by swapping atoms in unfavourable chemical environments☆22Apr 19, 2023Updated 2 years ago
- Python for Materials Machine Learning, Materials Descriptors, Machine Learning Force Fields, Deep Learning, etc.☆448Mar 2, 2026Updated last week
- A python library for calculating materials properties from the PES☆131Updated this week
- Python Materials Genomics (pymatgen) is a robust materials analysis code that defines classes for structures and molecules with support f…☆1,822Updated this week
- Graph deep learning library for materials☆511Updated this week
- An evaluation framework for machine learning models simulating high-throughput materials discovery.☆214Updated this week
- ☆289Oct 31, 2025Updated 4 months ago
- Automatic generation of crystal structure descriptions.☆132Feb 23, 2026Updated 2 weeks ago
- This module uses Crystal Structure Prototype Database (CSPD) to generate a list of crystal structures for the system defined by user.☆19Feb 7, 2019Updated 7 years ago
- A public repository collecting links to state of the art QA and evaluation sets for various ML and LLM applications☆101Jul 16, 2024Updated last year
- An overview of literature that discusses the use of machine learning for atomistic simulations☆44Apr 11, 2023Updated 2 years ago
- A pretrained BERT model on materials science literature☆74Nov 12, 2021Updated 4 years ago
- ☆14Jul 13, 2022Updated 3 years ago
- The latest stable release for the crystal structure prediction code FUSE☆13Oct 28, 2025Updated 4 months ago
- ☆14Dec 6, 2023Updated 2 years ago
- An ASE-friendly implementation of the amorphous-to-crystalline (a2c) workflow.☆18Oct 19, 2025Updated 4 months ago
- Code and Data for "Large Language Models for Inorganic Synthesis Prediction"☆33Sep 4, 2024Updated last year
- 🏆 A ranked list of awesome atomistic machine learning projects ⚛️🧬💎.☆623Updated this week
- Software and instructions for setting up and running a self-driving lab (autonomous experimentation) demo using dimmable RGB LEDs, an 8-c…☆78Nov 24, 2025Updated 3 months ago
- Statistical Mechanics on Lattices☆94Mar 2, 2026Updated last week
- Neural Network Crystal Synthesizability Predictor (NNCSP)☆11Aug 29, 2024Updated last year
- Jupyter notebooks demonstrating the utilization of open-source codes for the study of materials science.☆274Feb 2, 2026Updated last month
- MODNet: a framework for machine learning materials properties☆106May 2, 2025Updated 10 months ago
- Descriptors (isometry invariants) of crystals based on geometry.☆37Nov 17, 2025Updated 3 months ago
- Foundation Model for Materials - FM4M☆291Jan 24, 2026Updated last month