https://github.com/unixjunkie/mol2ecfp4

convert molecules to their ECFP4 fingerprint using rdkit
https://github.com/unixjunkie/mol2ecfp4

ecfp4 mol2 python-script rdkit sdf

Last synced: 3 months ago
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convert molecules to their ECFP4 fingerprint using rdkit

• Host: GitHub
• URL: https://github.com/unixjunkie/mol2ecfp4
• Owner: UnixJunkie
• License: bsd-3-clause
• Created: 2017-03-16T15:18:58.000Z (almost 8 years ago)
• Default Branch: master
• Last Pushed: 2017-03-16T15:21:17.000Z (almost 8 years ago)
• Last Synced: 2023-10-20T23:36:35.247Z (about 1 year ago)
• Topics: ecfp4, mol2, python-script, rdkit, sdf
• Language: Python
• Homepage:
• Size: 1.95 KB
• Stars: 8
• Watchers: 4
• Forks: 3
• Open Issues: 0
• Metadata Files:
  • Readme: README.md
  • License: LICENSE

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# mol2ecfp4

convert molecules to their ECFP4 bitstring