How To Install Simsearch?

simsearch

cheminformatics fingerprints file formats and tools

Maintainer: Debichem Team

Email: [email protected] .

Website: https://code.google.com/p/chem-fingerprints/

Section: python

Install simsearch

Debian apt-get install python-chemfp Click to copy
Ubuntu apt-get install python-chemfp Click to copy
Kali Linux apt-get install python-chemfp Click to copy
Raspbian apt-get install python-chemfp Click to copy

python-chemfp

cheminformatics fingerprints file formats and tools

Chem-fingerprints is a set of formats and related tools for the storage, exchange, and search of cheminformatics fingerprint data sets. It translates fingerprints from the OpenBabel and RDKIT and cheminformatics packages (as well as the proprietary OEChem package) into the binary FPS format. Besides Python modules, it provides the following tools: * sdf2fps - Extract fingerprint data from SD tags * ob2fps - Use OpenBabel to generate fingerprints from structures * rdkit2fps - Use RDKit to generate fingerprints from structures * oe2fps - Use OEChem/OEGraphSim to generate fingerprints from structures * simsearch - Do threshold or k-nearest neighbor Tanimoto similarity searches between two FPS files

Install the latest version of simsearch in Debian, Ubuntu, Kali and Raspbian from terminal. To install the simsearch just copy the above command for your OS and run into terminal. After you run the command it will grab the latest version of simsearch from the respository and install it in your computer/server.