2022-06-22 03:44:17
Fast cheminformatics fingerprint search, anywhere you use PythonChemfp is an analytics platform for cheminformatics fingerprints. It contains command-line tools and an extensive Python library for fingerprint generation, high-performance similarity search, diversity selection, and exploratory research.
Its market-leading performance and comprehensive API make it easy for you to add fast similarity search anywhere you use Python.
Why chemfp?
* Do you want single-threaded search of 1M 1024-bit fingerprints in under 10 milliseconds?
* Do you want to make a sparse similarity matrix from 1M 2048-bit fingerprints in less than 30 minutes on a four core machine?
* Do you want to include fingerprint similarity results in your Python web application?
* Do you do MaxMin or sphere exclusion diversity selection?
... with fast reload times during development, and without the complexity of using a dedicated search server?
* Do you work with fingerprints from multiple chemistry toolkits, or have custom fingerprint types?
* Do you want command-line tools with sub-second similarity search times?
* Do you program in Python and want to write new fingerprint analysis programs?
* Do you want the option to have the source code with no time-based licensing?
https://chemfp.com/index.html
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