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e3fp

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3D molecular fingerprinting inspired by Extended Connectivity FingerPrints (ECFP)

Installation

To install this package, run one of the following:

Conda
$conda install keiserlab::e3fp

Usage Tracking

1.1
1.0
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Downloads (Last 6 months): 0

Description

Extended 3-Dimensional FingerPrint (E3FP) is a 3D molecular fingerprinting method inspired by Extended Connectivity FingerPrints (ECFP), integrating tightly with the RDKit.

About

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

linux-64
macOS-64