e3fp
3D molecular fingerprinting inspired by Extended Connectivity FingerPrints (ECFP)
3D molecular fingerprinting inspired by Extended Connectivity FingerPrints (ECFP)
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Extended 3-Dimensional FingerPrint (E3FP) is a 3D molecular fingerprinting method inspired by Extended Connectivity FingerPrints (ECFP), integrating tightly with the RDKit.
Summary
3D molecular fingerprinting inspired by Extended Connectivity FingerPrints (ECFP)
Last Updated
Jul 17, 2017 at 10:38
License
LGPLv3
Total Downloads
674
Version Downloads
588
Supported Platforms