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BET Surface Identification - a program that fully implements the rouquerol criteria

Python 21 9 Updated Jun 21, 2023

🎨 ML Visuals contains figures and templates which you can reuse and customize to improve your scientific writing.

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open data sets for machine learning pertaining to porous materials

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😎 Awesome list of Library Genesis, the world's largest free library.

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A python-based crystal viewer built upon the fresnel and pymatgen libraries.

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Learning in infinite dimension with neural operators.

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Deep learning for molecules and materials book

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Read journal RSS feeds and tweet selected entries

Python 52 22 Updated Jan 29, 2025

Curated list of known efforts in materials informatics, i.e. in modern materials science

440 96 Updated May 13, 2025

Python disk-backed cache (Django-compatible). Faster than Redis and Memcached. Pure-Python.

Python 2,545 145 Updated Aug 10, 2024

🦜 DISCOTRESS 🦜 is a software package to simulate and analyse the dynamics on arbitrary Markov chains

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A tool for retrosynthetic planning

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