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matgl_local Public
Forked from materialyzeai/matglGraph deep learning library for materials
Python BSD 3-Clause "New" or "Revised" License UpdatedDec 12, 2025 -
matcalculator Public
Forked from materialyzeai/matcalcA python library for calculating materials properties from the PES
Python BSD 3-Clause "New" or "Revised" License UpdatedDec 9, 2025 -
Fmace Public
Forked from ACEsuit/maceMACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.
Python Other UpdatedApr 26, 2025 -
pymatgen Public
Forked from materialsproject/pymatgenPython Materials Genomics (pymatgen) is a robust materials analysis code that defines classes for structures and molecules with support for many electronic structure codes. It powers the Materials …
Python Other UpdatedApr 17, 2025 -
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FourierFormer Public
Forked from rfhari/fourier_attention_maceFourier Attention for Long-range physics with MACE
Python UpdatedJan 23, 2025 -
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mace-tutorials Public
Forked from ilyes319/mace-tutorialsCollection of tutorials to use the MACE machine learning force field.
Jupyter Notebook MIT License UpdatedOct 10, 2023 -
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e3_diffusion Public
Forked from ehoogeboom/e3_diffusion_for_moleculesPython MIT License UpdatedJul 10, 2022 -
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MethaneEthaneDCModels Public
Forked from remsing-group/MethaneEthaneDCModelsSimulation Input Files for Dielectric-corrected (DC) models of liquid methane and ethane. See https://arxiv.org/abs/2011.12481 for details.
Shell UpdatedJun 25, 2021
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