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Add MACE-OFF23 models #275

Merged
merged 15 commits into from
Jan 5, 2024
Merged

Add MACE-OFF23 models #275

merged 15 commits into from
Jan 5, 2024

Commits on Dec 5, 2023

  1. Merge pull request ACEsuit#246 from ACEsuit/develop 

    Fix selection of device to allow integer
    @ilyes319
    ilyes319 authored Dec 5, 2023
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Commits on Dec 6, 2023

  1. Merge pull request ACEsuit#250 from ACEsuit/develop 

    Update version to 0.3.2 for conda installation
    @ilyes319
    ilyes319 authored Dec 6, 2023
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  2. Merge pull request ACEsuit#251 from ACEsuit/develop 

    Update version for conda release
    @ilyes319
    ilyes319 authored Dec 6, 2023
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  3. Merge pull request ACEsuit#252 from ACEsuit/develop 

    Update to 0.3.2 to overwrite previous tag
    @ilyes319
    ilyes319 authored Dec 6, 2023
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Commits on Dec 11, 2023

  1. Merge pull request ACEsuit#257 from ACEsuit/develop 

    Add small model and warning for float32 accuracy in mace_mp
    @ilyes319
    ilyes319 authored Dec 11, 2023
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  2. remove "=" from print for old python compatibility

    @ilyes319
    ilyes319 committed Dec 11, 2023
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Commits on Dec 15, 2023

  1. Merge pull request ACEsuit#263 from ACEsuit/develop 

    update the small model to energy model
    @ilyes319
    ilyes319 authored Dec 15, 2023
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Commits on Jan 2, 2024

  1. Update README.md, PyTorch 2.1 supported

    @ilyes319
    ilyes319 authored Jan 2, 2024
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Commits on Jan 4, 2024

  1. add mace_off

    @davkovacs
    davkovacs committed Jan 4, 2024
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Commits on Jan 5, 2024

  1. fix download links

    @davkovacs
    davkovacs committed Jan 5, 2024
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  2. update redame

    @davkovacs
    davkovacs committed Jan 5, 2024
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  3. add option to load raw mace_off

    @davkovacs
    davkovacs committed Jan 5, 2024
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  4. tidy up raw model and fix docstring

    @davkovacs
    davkovacs committed Jan 5, 2024
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  5. add test and clean-up

    @davkovacs
    davkovacs committed Jan 5, 2024
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  6. small clean up

    @ilyes319
    ilyes319 committed Jan 5, 2024
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