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torch-sim Public
Forked from Radical-AI/torch-simTorch-native, batchable, atomistic simulation
Python MIT License UpdatedMay 14, 2025 -
matbench-discovery Public
Forked from janosh/matbench-discoveryAn evaluation framework for machine learning models simulating high-throughput materials discovery.
Python MIT License UpdatedMar 16, 2025 -
batched_atoms Public
Efficient concurrent relax or MD with batched small atoms with SevenNetCalculators
Python UpdatedFeb 12, 2025 -
kickstart.nvim Public
Forked from nvim-lua/kickstart.nvim8000 A launch point for your personal nvim configuration
Lua MIT License UpdatedJan 15, 2025 -
mace-mp-umap Public
Forked from RokasEl/mace-mp-umapFor SevenNet
Python MIT License UpdatedJan 8, 2025 -
SevenNet Public
Forked from MDIL-SNU/SevenNetSevenNet - a graph neural network interatomic potential package supporting efficient multi-GPU parallel molecular dynamics simulations.
Python GNU General Public License v3.0 UpdatedDec 8, 2024 -
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mamls Public
Forked from materialsvirtuallab/mamlPython for Materials Machine Learning, Materials Descriptors, Machine Learning Force Fields, Deep Learning, etc.
Jupyter Notebook BSD 3-Clause "New" or "Revised" License UpdatedAug 5, 2024 -
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pytorch_fft Public
Forked from locuslab/pytorch_fftPyTorch wrapper for FFTs
Python Apache License 2.0 UpdatedOct 28, 2018
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