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Merge develop branch changes into the master branch #288

Merged
merged 40 commits into from
Jul 10, 2024
Merged

Merge develop branch changes into the master branch #288

merged 40 commits into from
Jul 10, 2024

Commits on Jun 3, 2024

  1. Add option to use pre-supplied embeddings within SMACT.

    @AntObi
    AntObi committed Jun 3, 2024
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  2. Add cosine similarity for skipspecies 200dim embeddings to SMACT

    @AntObi
    AntObi committed Jun 3, 2024
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  3. Remove unused imports

    @AntObi
    AntObi committed Jun 3, 2024
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  4. Refactor calculation of probabilities and similiarites

    @AntObi
    AntObi committed Jun 3, 2024
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  5. Mock tabulate

    @AntObi
    AntObi committed Jun 3, 2024
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  6. Use CamelCase and add additional tests

    @AntObi
    AntObi committed Jun 3, 2024
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Commits on Jun 4, 2024

  1. Make format_number a hidden method

    @AntObi
    AntObi committed Jun 4, 2024
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  2. Update test_doper.py

    @AntObi
    AntObi committed Jun 4, 2024
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  3. Update doper.py

    @AntObi
    AntObi committed Jun 4, 2024
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  4. Add skipspecies example and make Colab compatible

    @AntObi
    AntObi committed Jun 4, 2024
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  5. Use develop branch for colab notebook

    @AntObi
    AntObi committed Jun 4, 2024
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  6. Check the skipspecies cosine similarity values are between 0 and 1

    @AntObi
    AntObi committed Jun 4, 2024
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  7. Merge pull request #260 from AntObi/species_updates 

    [WIP] Add option to use pre-supplied embeddings within SMACT for the dopant_prediction module
    @AntObi
    AntObi authored Jun 4, 2024
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  8. Install smact from the develop branch in Colab

    @AntObi
    AntObi committed Jun 4, 2024
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  9. Use MANIFEST.in for package data

    @AntObi
    AntObi committed Jun 4, 2024
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  10. Remove package_dir

    @AntObi
    AntObi committed Jun 4, 2024
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  11. Merge pull request #261 from AntObi/species_updates 

    Include SkipSpecies cosine similarities in package files
    @AntObi
    AntObi authored Jun 4, 2024
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  12. Revert "Include SkipSpecies cosine similarities in package files"

    @AntObi
    AntObi authored Jun 4, 2024
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  13. Update setup.py

    @AntObi
    AntObi committed Jun 4, 2024
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  14. Merge pull request #262 from WMD-group/revert-261-species_updates 

    Revert "Include SkipSpecies cosine similarities in package files"
    @AntObi
    AntObi authored Jun 4, 2024
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  15. Install SMACT from develop branch in notebook example on colab

    @AntObi
    AntObi committed Jun 4, 2024
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  16. Merge pull request #263 from WMD-group/update_colab_examples 

    Install SMACT from develop branch in notebook example on colab
    @AntObi
    AntObi authored Jun 4, 2024
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Commits on Jul 8, 2024

  1. Add option to select oxidation states set for the smact_validity func… 

    …tion
    @AntObi
    AntObi committed Jul 8, 2024
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  2. Fix docstring

    @AntObi
    AntObi committed Jul 8, 2024
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  3. Update docstring

    @AntObi
    AntObi committed Jul 8, 2024
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  4. Pin numpy<2

    @AntObi
    AntObi committed Jul 8, 2024
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  5. Fix installation instructions

    @AntObi
    AntObi committed Jul 8, 2024
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  6. Add new test for smact_validity

    @AntObi
    AntObi committed Jul 8, 2024
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  7. Fix docstring

    @AntObi
    AntObi committed Jul 8, 2024
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  8. Merge pull request #282 from AntObi/smact_validity_updates 

    Add oxidation states option to SMACT validity function
    @AntObi
    AntObi authored Jul 8, 2024
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Commits on Jul 10, 2024

  1. Add cmap option to plot and update example code block

    @AntObi
    AntObi committed Jul 10, 2024
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  2. Update example notebook to show cmap option

    @AntObi
    AntObi committed Jul 10, 2024
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  3. Fix indentation on example code

    @AntObi
    AntObi committed Jul 10, 2024
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  4. Update docstrings

    @AntObi
    AntObi committed Jul 10, 2024
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  5. Merge pull request #285 from AntObi/doper_fixes 

    Add `cmap` option to doper plots
    @AntObi
    AntObi authored Jul 10, 2024
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  6. Update conf.py

    @AntObi
    AntObi committed Jul 10, 2024
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  7. Update version in setup.py

    @AntObi
    AntObi committed Jul 10, 2024
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  8. Fix typos and links in README.md

    @AntObi
    AntObi committed Jul 10, 2024
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  9. Merge pull request #286 from AntObi/release_2.6 

    Preparation for v2.6
    @AntObi
    AntObi authored Jul 10, 2024
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  10. Merge pull request #287 from WMD-group/master 

    Merge dependabot changes into develop branch
    @AntObi
    AntObi authored Jul 10, 2024
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