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Load pre-trained GNINA default2017 and default2018 models #36

Merged
merged 13 commits into from
Jul 16, 2022
Merged

Load pre-trained GNINA default2017 and default2018 models #36

merged 13 commits into from
Jul 16, 2022

Commits on Jul 14, 2022

  1. change default2017 model naming conventions

    @RMeli
    RMeli committed Jul 14, 2022
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  2. load pre-trained def2017 and def2018 models

    @RMeli
    RMeli committed Jul 14, 2022
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Commits on Jul 15, 2022

  1. Merge branch 'main' into gnina

    @RMeli
    RMeli committed Jul 15, 2022
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  2. add functionality to load gnina models

    @RMeli
    RMeli committed Jul 15, 2022
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  3. add tests for gnina default models

    @RMeli
    RMeli committed Jul 15, 2022
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  4. test all default2018 models

    @RMeli
    RMeli committed Jul 15, 2022
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  5. simplify dense model architecture by linearising neseted structure

    @RMeli
    RMeli committed Jul 15, 2022
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Commits on Jul 16, 2022

  1. allow dataloader to load samples without data

    @RMeli
    RMeli committed Jul 16, 2022
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  2. allow predictions with gnina default models from CLI

    @RMeli
    RMeli committed Jul 16, 2022
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  3. gnina application test

    @RMeli
    RMeli committed Jul 16, 2022
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  4. ensure test runs on gpu

    @RMeli
    RMeli committed Jul 16, 2022
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  5. improve documentation

    @RMeli
    RMeli committed Jul 16, 2022
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  6. revert some changes in README

    @RMeli
    RMeli committed Jul 16, 2022
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