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SLMat: ServerLess Materials Design Toolkit, Preprint: https://doi.org/10.26434/chemrxiv-2024-fqq27

Jupyter Notebook 17 2 Updated Jan 14, 2025

AtomGPT: Atomistic Generative Pretrained Transformer for Forward and Inverse Materials Design https://www.youtube.com/watch?v=7v2WYvwGhy8

Python 39 7 Updated Dec 22, 2024

Interface materials design toolkit

Python 15 3 Updated Nov 25, 2024

A large scale benchmark of materials design methods: https://www.nature.com/articles/s41524-024-01259-w

Python 63 45 Updated Jan 16, 2025

Atomistic Calculations on Quantum Computers

Python 14 10 Updated Mar 29, 2024

Deep learning framework for atomistic image data

Python 30 15 Updated Jan 23, 2025

ChemNLP: A Natural Language Processing based Library for Materials Chemistry Text Data

Python 73 17 Updated Aug 19, 2024

JARVIS-Tools: an open-source software package for data-driven atomistic materials design. Publications: https://scholar.google.com/citations?user=3w6ej94AAAAJ https://www.youtube.com/watch?v=2-XHeC…

Python 326 128 Updated Nov 20, 2024

Atomistic Line Graph Neural Network https://scholar.google.com/citations?user=9Q-tNnwAAAAJ&hl=en https://www.youtube.com/watch?v=WYePjZMzx3M

Python 248 88 Updated Jan 12, 2025