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CatLearn Public
Forked from SUNCAT-Center/CatLearnA machine learning environment for atomic-scale modeling in surface science and catalysis.
Python GNU General Public License v3.0 UpdatedJan 18, 2025 -
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A modular framework for neural networks with Euclidean symmetry
Python Other UpdatedJan 5, 2024 -
api Public
Forked from materialsproject/apiNew API client for the Materials Project
Python Other UpdatedNov 7, 2022 -
Graphormer Public
Forked from microsoft/GraphormerGraphormer is a deep learning package that allows researchers and developers to train custom models for molecule modeling tasks. It aims to accelerate the research and application in AI for molecul…
Python MIT License UpdatedAug 12, 2022 -
catmap Public
Forked from SUNCAT-Center/catmapCatalyst Micro-kinetic Analysis Package for automated creation of micro-kinetic models used in catalyst screening
Python GNU General Public License v3.0 UpdatedMay 19, 2022 -
CatKit Public
Forked from SUNCAT-Center/CatKitGeneral purpose tools for high-throughput catalysis
Python GNU General Public License v3.0 UpdatedJan 7, 2022 -
cgcnn Public
Forked from txie-93/cgcnnCrystal graph convolutional neural networks for predicting material properties.
Python MIT License UpdatedSep 6, 2021 -
ase-espresso Public
Forked from lmmentel/ase-espressoase interface for Quantum Espresso
Python Other UpdatedMar 25, 2021