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base repository: hcji/PyFingerprint
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base: v3.0
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head repository: hcji/PyFingerprint
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compare: master
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  • 8 commits
  • 4 files changed
  • 3 contributors

Commits on Nov 6, 2023

  1. Update test_fingerprint.py 

    update the example file so it works with atom-pairs descriptor
    @Jnelen
    Jnelen authored Nov 6, 2023
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Commits on Nov 8, 2023

  1. Merge pull request #15 from Jnelen/master 

    Update test_fingerprint.py
    @hcji
    hcji authored Nov 8, 2023
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Commits on Nov 15, 2023

  1. Update rdk.py 

    It's a better practice to not use explicit hydrogens when generating RDKit fingerprints: rdkit/rdkit#6916 (comment)
    @Jnelen
    Jnelen authored Nov 15, 2023
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Commits on Nov 16, 2023

  1. Merge pull request #16 from Jnelen/master 

    Update rdk.py
    @hcji
    hcji authored Nov 16, 2023
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Commits on Mar 15, 2024

  1. Update setup.py

    @pslacerda
    pslacerda authored Mar 15, 2024
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Commits on Mar 18, 2024

  1. Merge pull request #17 from pslacerda/master 

    Update setup.py
    @hcji
    hcji authored Mar 18, 2024
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Commits on Dec 19, 2024

  1. update rdkit

    @hcji
    hcji committed Dec 19, 2024
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  2. merge

    @hcji
    hcji committed Dec 19, 2024
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