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Code quality #154

Merged
merged 19 commits into from
Apr 27, 2023
Merged

Code quality #154

merged 19 commits into from
Apr 27, 2023

Commits on Feb 17, 2023

  1. Merge branch 'master' into code_quality

    @ralf-meyer
    ralf-meyer committed Feb 17, 2023
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Commits on Feb 20, 2023

  1. Add type hints

    @ralf-meyer
    ralf-meyer committed Feb 20, 2023
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Commits on Mar 3, 2023

  1. Merge branch 'master'

    @ralf-meyer
    ralf-meyer committed Mar 3, 2023
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  2. Remove print statement

    @ralf-meyer
    ralf-meyer committed Mar 3, 2023
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  3. Openbabel version 3 style imports

    @ralf-meyer
    ralf-meyer committed Mar 3, 2023
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  4. Cleanup create_coulomb_matrix and add test case

    @ralf-meyer
    ralf-meyer committed Mar 3, 2023
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  5. Replace np.matrix by np.array

    @ralf-meyer
    ralf-meyer committed Mar 3, 2023
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  6. Silence tf ANN predictions

    @ralf-meyer
    ralf-meyer committed Mar 3, 2023
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  7. Remove passing of globs

    @ralf-meyer
    ralf-meyer committed Mar 3, 2023
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  8. Remove unhelpful print statements

    @ralf-meyer
    ralf-meyer committed Mar 3, 2023
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Commits on Apr 20, 2023

  1. Remove my name from this example

    @ralf-meyer
    ralf-meyer committed Apr 20, 2023
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Commits on Apr 22, 2023

  1. Add/Simplify __repr__() of monomer3D/mol3D

    @ralf-meyer
    ralf-meyer committed Apr 22, 2023
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  2. Add doctests for files in the Classes folder

    @ralf-meyer
    ralf-meyer committed Apr 22, 2023
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Commits on Apr 27, 2023

  1. Convert to scripts with main() functions

    @ralf-meyer
    ralf-meyer committed Apr 27, 2023
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  2. Joblib is now a standalone package

    @ralf-meyer
    ralf-meyer committed Apr 27, 2023
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  3. Expand the doctests to most of the package

    @ralf-meyer
    ralf-meyer committed Apr 27, 2023
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  4. Merge branch 'master' into code_quality

    @ralf-meyer
    ralf-meyer committed Apr 27, 2023
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  5. Trigger slack webhook only on CI failure

    @ralf-meyer
    ralf-meyer committed Apr 27, 2023
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  6. Add "optional" packages to the environment file

    @ralf-meyer
    ralf-meyer committed Apr 27, 2023
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