MAterials Simulation Toolkit for Machine Learning (MAST-ML)
☆130Oct 10, 2025Updated last year
Alternatives and similar repositories for MAST-ML
Users that are interested in MAST-ML are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- MAterials Simulation Toolkit for use with pymatgen☆17Feb 21, 2024Updated 2 years ago
- Things that you should (and should not) do in your Materials Informatics research.☆205Nov 17, 2023Updated 2 years ago
- Veidt is a deep learning library for materials science.☆18May 5, 2020Updated 6 years ago
- This repository is no longer maintained. For the latest updates and continued development, please visit: https://github.com/atomgptlab/ja…☆97Jul 10, 2025Updated last year
- Data mining for materials science☆624Updated this week
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Python Materials Genomics (pymatgen) is a robust materials analysis code that defines classes for structures and molecules with support f…☆2,007Updated this week
- Tools for creating a MongoDB collection of ChemDataExtractor-snowball records☆14May 29, 2019Updated 7 years ago
- ☆19Aug 26, 2025Updated last year
- Python scripts for dealing with molecular dynamics script for LAMMPS☆18Sep 18, 2022Updated 4 years ago
- A suite of computational materials science tools.☆146Jun 29, 2026Updated 4 months ago
- Automated DFT Input File Generator using wxDragon☆16Sep 21, 2023Updated 3 years ago
- Predict materials properties using only the composition information!☆134Apr 23, 2023Updated 3 years ago
- Curated list of known efforts in materials informatics, i.e. in modern materials science☆534Mar 24, 2026Updated 7 months ago
- Jupyter notebooks demonstrating the utilization of open-source codes for the study of materials science.☆290Jun 1, 2026Updated 5 months ago
- 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.
- The FPTE package is a collection of tools for finite pressure temperature elastic constants calculation. Features include, but are not l…☆17Jan 19, 2025Updated last year
- Fitting thermodynamic models with pycalphad - https://doi.org/10.1557/mrc.2019.59☆96Oct 27, 2026Updated last week
- predicting charges on MOF atoms via a message passing MOFs☆24Aug 18, 2020Updated 6 years ago
- Python for Materials Machine Learning, Materials Descriptors, Machine Learning Force Fields, Deep Learning, etc.☆467Oct 26, 2026Updated last week
- Repository for spectral neighbor analysis potential (SNAP) model development.☆40Jun 30, 2020Updated 6 years ago
- A collection of tips, scripts, tools and files to improve your workflow, or simply help you start with ab initio Molecular Dynamics (AIMD…☆29May 25, 2023Updated 3 years ago
- About JARVIS-Tools: an open-source software package for data-driven atomistic materials design. Publications: https://scholar.google.com/…☆405Aug 25, 2025Updated last year
- A repo of examples for the matminer (https://github.com/hackingmaterials/matminer) code☆128Jun 7, 2021Updated 5 years ago
- ☆22Aug 25, 2023Updated 3 years 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.
- Learning to Discover Crystallographic Structures with Generative Adversarial Networks☆39Nov 21, 2019Updated 6 years ago
- ChemML is a machine learning and informatics program suite for the chemical and materials sciences.☆180Updated this week
- Magnetic critical temperature Calculator☆18Apr 2, 2024Updated 2 years ago
- Machine learning approach to Fe-based soft magnetic nanocrystalline materials design☆23Apr 16, 2020Updated 6 years ago
- ☆14Jul 13, 2022Updated 4 years ago
- Tool to quickly create a composition-based feature vector☆34Mar 30, 2022Updated 4 years ago
- ☆10Jul 19, 2019Updated 7 years ago
- Word2Vec model trained across 640k+ materials science journal articles