Molecular 3D fingerprinting

## Project description

E3FP [1] is a 3D molecular fingerprinting method inspired by Extended Connectivity FingerPrints (ECFP) [2], integrating tightly with the RDKit.

Documentation is hosted by ReadTheDocs, and development occurs on GitHub.

## Installation and Usage

For installation and usage instructions, see the documentation.

See the E3FP paper repository for an application of E3FP and all code used for the E3FP paper [1].

E3FP is available under the GNU Lesser General Public License version 3.0 (LGPLv3). See the documentation for more details.

## Project details

Uploaded source
Uploaded py3