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: about 2 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 (about 8 years ago)
- Default Branch: master
- Last Pushed: 2017-03-16T15:21:17.000Z (about 8 years ago)
- Last Synced: 2025-03-27T19:23:32.197Z (2 months ago)
- Topics: ecfp4, mol2, python-script, rdkit, sdf
- Language: Python
- Homepage:
- Size: 1.95 KB
- Stars: 8
- Watchers: 1
- Forks: 3
- Open Issues: 0
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Metadata Files:
- Readme: README.md
- License: LICENSE
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README
# mol2ecfp4
convert molecules to their ECFP4 bitstring