Skip to content

nostrumbiodiscovery/analogs_finder

Repository files navigation

Analogs Finder

https://travis-ci.com/NostrumBioDiscovery/analogs_finder.svg?branch=master

Description

Analogs finder is a python based query-search engine for drug discovery. It allows the user to perform queries based on molecule similarity or substructure matching to retrieve similar analogs from your initial molecule.

docs/_images/query_result.png

Installation

From conda:

  • conda install -c conda-forge -c rdkit -c nostrumbiodiscovery analogs_finder

From Pypi:

  • pip install analogs_finder

From source code:

To use as Python module

https://nostrumbiodiscovery.github.io/analogs_finder/tutorial/api_tutorial/index.html

To use from Command Line

https://nostrumbiodiscovery.github.io/analogs_finder/tutorial/command_line_tutorial/index.html