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chemiscope.metatensor_featurizer #357

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chemiscope.metatensor_featurizer #357

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Commits on Aug 13, 2024

  1. Create torchscript_featurizer function, add small example, deps in ex… 

    …tras
    @sofiia-chorna
    sofiia-chorna committed Aug 13, 2024
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  2. Renamings, call run_model in loop, move creation of model out of feat… 

    …urize
    @sofiia-chorna
    sofiia-chorna committed Aug 13, 2024
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  3. Upload extension folder, small fix to docstring

    @sofiia-chorna
    sofiia-chorna committed Aug 13, 2024
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  4. Extend documentation of the function

    @sofiia-chorna
    sofiia-chorna committed Aug 13, 2024
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  5. Add description to the example

    @sofiia-chorna
    sofiia-chorna committed Aug 13, 2024
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  6. Mention installation option

    @sofiia-chorna
    sofiia-chorna committed Aug 13, 2024
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Commits on Sep 11, 2024

  1. Merge branch 'main' into torchscript_featurizer

    @sofiia-chorna
    sofiia-chorna committed Sep 11, 2024
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Commits on Sep 12, 2024

  1. Delete model files, move example to separate file

    @sofiia-chorna
    sofiia-chorna committed Sep 12, 2024
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Commits on Sep 13, 2024

  1. Update python/chemiscope/explore.py 

    Co-authored-by: Guillaume Fraux <[email protected]>
    @sofiia-chorna @Luthaf
    sofiia-chorna and Luthaf committed Sep 13, 2024
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Commits on Sep 16, 2024

  1. Add handling of environments

    @sofiia-chorna
    sofiia-chorna committed Sep 16, 2024
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Commits on Sep 17, 2024

  1. Add an example of model with features

    @sofiia-chorna
    sofiia-chorna committed Sep 17, 2024
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  2. Add types to the implementation

    @sofiia-chorna
    sofiia-chorna committed Sep 17, 2024
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  3. Merge branch 'main' into torchscript_featurizer

    @sofiia-chorna
    sofiia-chorna committed Sep 17, 2024
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