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comment-artifact Public
GitHub Actions for updating PR description with a link to download an artifact
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metatrain-feedstock Public
Forked from conda-forge/metatrain-feedstockA conda-smithy repository for metatrain.
BSD 3-Clause "New" or "Revised" License UpdatedApr 14, 2025 -
python-metatensor-torch-feedstock Public
Forked from conda-forge/python-metatensor-torch-feedstockA conda-smithy repository for python-metatensor-torch.
BSD 3-Clause "New" or "Revised" License UpdatedApr 13, 2025 -
aml-intro Public
Forked from ceriottm/aml-introIntroductory lectures in atomistic machine learning
Jupyter Notebook MIT License UpdatedApr 10, 2025 -
staged-recipes Public
Forked from conda-forge/staged-recipesA place to submit conda recipes before they become fully fledged conda-forge feedstocks
Python BSD 3-Clause "New" or "Revised" License UpdatedMar 7, 2025 -
python-metatensor-core-feedstock Public
Forked from conda-forge/python-metatensor-core-feedstockA conda-smithy repository for python-metatensor-core.
BSD 3-Clause "New" or "Revised" License UpdatedMar 5, 2025 -
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vesin Public
Forked from Luthaf/vesinCompute neighbor lists for atomistic systems
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ewaldAD-code Public
Auxiliary Code Repository for 'Fast and flexible range-separated models for atomistic machine learning'
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torch-pme-feedstock Public
Forked from conda-forge/torch-pme-feedstockA conda-smithy repository for torch-pme.
BSD 3-Clause "New" or "Revised" License UpdatedJan 24, 2025 -
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cavitation Public
Auxiliary Code Repository for 'Water cavitation results from the kinetic competition of bulk, surface and surface-defect nucleation events'
Python UpdatedNov 28, 2024 -
PySnips Public
Python code snippets and little algorithms for daily work
Python MIT License UpdatedSep 25, 2024 -
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mdanalysis Public
Forked from MDAnalysis/mdanalysisMDAnalysis is a Python library to analyze molecular dynamics trajectories.
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scipy Public
Forked from scipy/scipySciPy library main repository
Python BSD 3-Clause "New" or "Revised" License UpdatedApr 22, 2024 -
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pycoulomb Public
Python Implementation for Coulomb interactions
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kernel-tutorials Public
Forked from lab-cosmo/kernel-tutorialsA set of utilities and pedagogic notebooks for the use of linear and kernel methods in atomistic modeling
Jupyter Notebook GNU Lesser General Public License v3.0 UpdatedOct 27, 2023 -
plode-code Public
Auxiliary Code Repository for 'Physics-inspired Equivariant Descriptors of Non-bonded Interactions'
UpdatedOct 3, 2023 -
linearcalculator Public
A frontend to calculator linear models with equisolve and rascaline
Python UpdatedSep 27, 2023 -
scikit-matter Public
Forked from scikit-learn-contrib/scikit-matterA collection of scikit-learn compatible utilities that implement methods born out of the materials science and chemistry communities
Python BSD 3-Clause "New" or "Revised" License UpdatedAug 24, 2023 -
nightly-wheels Public
Forked from Luthaf/nightly-wheelsBuild wheels nightly and allow to install them with pip
Dockerfile UpdatedJul 11, 2023 -
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equistore Public
Forked from metatensor/metatensorStorage format for equivariant atomistic machine learning
Python BSD 3-Clause "New" or "Revised" License UpdatedMar 3, 2023 -
mdacli Public
Forked from MDAnalysis/mdacliCommand line interface for MDAnalysis
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mdacli-feedstock Public
Forked from conda-forge/mdacli-feedstockA conda-smithy repository for mdacli.
BSD 3-Clause "New" or "Revised" License UpdatedJan 27, 2023 -
sampleproject Public
Forked from pypa/sampleprojectSample project for the COSMO retreat teaching collaborative programming using Git and Github
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MDAnalysis.github.io Public
Forked from MDAnalysis/MDAnalysis.github.ioMDAnalysis home page mdanalysis.org as GitHub pages.
CSS UpdatedMar 7, 2022
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