Chemfp is a set of command-line tools and a Python library for fingerprint generation and high-performance similarity search. Chemfp supports the FPS exchange format for fingerprint data, so if want something beyond the OpenEye, Open Babel and RDKit fingerprints that chemfp supports then you can write your own FPS files and still use the fast Tanimoto search tool. It also supports the FPB binary format for fast loading, which is handy fast web server reloads and subsecond command-line searches. http://chemfp.com |
hg clone https://toolshed.g2.bx.psu.edu/repos/bgruening/chemfp
Name | Description | Version | Minimum Galaxy Version |
---|---|---|---|
of molecular fingerprints | 0.2 | 16.01 | |
of molecular fingerprints | 0.4 | 16.01 | |
with different fingerprint types | 0.3.0 | 16.01 | |
extract fingerprints from sdf files metadata | 0.2 | 16.01 |