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RDKit Descriptors and fingerprints wrapper #2912

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RDKit Descriptors and fingerprints wrapper #2912

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Commits on Apr 28, 2021

  1. descriptors as analysis and fingerprint as function

    @cbouy
    Cédric Bouysset authored and cbouy committed Apr 28, 2021
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  2. add method to list descriptors available

    @cbouy
    Cédric Bouysset authored and cbouy committed Apr 28, 2021
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  3. documentation

    @cbouy
    Cédric Bouysset authored and cbouy committed Apr 28, 2021
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  4. fix docs

    @cbouy
    Cédric Bouysset authored and cbouy committed Apr 28, 2021
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  5. fix bullet points and pep8

    @cbouy
    Cédric Bouysset authored and cbouy committed Apr 28, 2021
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  6. separate dict key from fp name

    @cbouy
    Cédric Bouysset authored and cbouy committed Apr 28, 2021
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  7. add tests

    @cbouy
    Cédric Bouysset authored and cbouy committed Apr 28, 2021
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  8. pep8

    @cbouy
    Cédric Bouysset authored and cbouy committed Apr 28, 2021
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  9. descriptors as array

    @cbouy
    Cédric Bouysset authored and cbouy committed Apr 28, 2021
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  10. typo

    @cbouy
    Cédric Bouysset authored and cbouy committed Apr 28, 2021
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  11. add dtype dict and changed default for fp

    @cbouy
    Cédric Bouysset authored and cbouy committed Apr 28, 2021
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  12. lowercase for test filename

    @cbouy
    Cédric Bouysset authored and cbouy committed Apr 28, 2021
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  13. code review

    @cbouy
    Cédric Bouysset authored and cbouy committed Apr 28, 2021
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  14. fix tests and docs

    @cbouy
    Cédric Bouysset authored and cbouy committed Apr 28, 2021
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