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Commits on Dec 19, 2024

• merge

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• update rdkit

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Commits on Mar 18, 2024

• Merge pull request #17 from pslacerda/master

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Commits on Mar 15, 2024

• Update setup.py

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Commits on Nov 16, 2023

• Merge pull request #16 from Jnelen/master

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  hcji

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Commits on Nov 15, 2023

• Update rdk.py

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Commits on Nov 8, 2023

• Merge pull request #15 from Jnelen/master

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Commits on Nov 6, 2023

• Update test_fingerprint.py

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Commits on Oct 18, 2023

• Update setup.py

  hcji

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• Update README.md

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• Update README.md

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• Update pyfingerprint_env.yml

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• update version number

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• update readme

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• remove heteroencoder

  hcji

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Commits on Oct 16, 2023

• Merge pull request #14 from Jnelen/master

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  hcji

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Commits on Oct 13, 2023

• Merge branch 'master' of https://github.com/Jnelen/PyFingerprint

  Jnelen

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• re-add support for the signature fingerprint

  Jnelen

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• Merge pull request #13 from Jnelen/master

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  hcji

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Commits on Oct 12, 2023

• Update README.md

  Jnelen

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• Update README.md

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• rename cdk's atompairs to cdk-atompairs to make a better distinction with the rdkit implementation

  Jnelen

  committed
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• Fixed lingo, shortestpath, topological-torsion and atom-pair fingerprints

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  Jnelen

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Commits on May 19, 2023

• Merge pull request #12 from Jnelen/patch-1

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  hcji

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• Update fingerprint.py

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  Jnelen

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Commits on Feb 2, 2023

• Update README.md

  hcji

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Commits on Oct 9, 2022

• Update README.md

  hcji

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Commits on Apr 13, 2022

• update model path

  hcji

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Commits on Feb 28, 2022

• Update README.md

  hcji

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Commits on Feb 21, 2022

• Update README.md

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Commits on Feb 19, 2022

• Update setup.py

  hcji

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• Update README.md

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• heteroencoder is not essential

  hcji

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Commits on Feb 8, 2022

• Update README.md

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• Update README.md

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