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EPFL
- Lausanne, Switzerland
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22:02
(UTC +01:00) - https://guillaume.fraux.fr/
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chemfiles/chemfiles
chemfiles/chemfiles PublicLibrary for reading and writing chemistry files
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lab-cosmo/chemiscope
lab-cosmo/chemiscope PublicAn interactive structure/property explorer for materials and molecules
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lab-cosmo/metatensor
lab-cosmo/metatensor PublicSelf-describing sparse tensor data format for atomistic machine learning and beyond
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lumol-org/soa-derive
lumol-org/soa-derive PublicArray of Struct to Struct of Array helpers in Rust
1,571 contributions in the last year
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Contribution activity
December 2023
Created 13 commits in 4 repositories
Reviewed 9 pull requests in 3 repositories
lab-cosmo/metatensor
4 pull requests
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Atomistic models based on metatensor-torch
This contribution was made on Dec 8
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Move
tox.ini
environment comments to descriptionsThis contribution was made on Dec 6 -
metatensor-learn
- the building blocks sub-repo for atomistic machine learning modelsThis contribution was made on Dec 6 -
Bump min Python version 3.7
This contribution was made on Dec 5
Luthaf/rascaline
3 pull requests
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added pyscf system
This contribution was made on Dec 7
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bond environments: bond-atom neighbouring
This contribution was made on Dec 7
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Bump min Python version 3.7
This contribution was made on Dec 6
lab-cosmo/metatensor-models
2 pull requests
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Implement saving and loading of models
This contribution was made on Dec 8
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Add documentation structure
This contribution was made on Dec 4