Metadata-Version: 2.1
Name: chemfp
Version: 1.6.1
Summary: Reference baseline for high-performance cheminformatics fingerprint search benchmarking
Home-page: http://chemfp.com/
Author: Andrew Dalke
Author-email: dalke@dalkescientific.com
License: MIT
Project-URL: Bug Tracker, https://todo.sr.ht/~dalke/chemfp
Project-URL: Documentation, https://chemfp.readthedocs.io/en/chemfp-1.6.1/
Project-URL: Changelog, https://chemfp.readthedocs.io/en/chemfp-1.6.1/#what-s-new-in-1-6-1
Description: This version of chemfp includes command-lines tools to generate
        cheminformatics fingerprints and search those fingerprints by
        Tanimoto similarity, as well as a Python library which you can use
        to build new tools.
        
        It is the no-cost/open source chemfp release track. It only supports
        Python 2.7. It is being maintained only to provide a good reference
        baseline for benchmarking other similarity search tools.
        
        The commercial track, currently chemfp 3.4, includes faster
        performance, many new features, and support for Python 3.
        
        Chemfp is designed for the dense, 100-10,000 bit fingerprints which
        occur in small-molecule/pharmaceutical chemisty. The Tanimoto search
        algorithms are implemented in C and assembly for performance, and
        support both threshold and k-nearest searches using the BitBound
        algorithm of Swamidass and Baldi.
          
        Fingerprint generation can be done either by extracting existing
        fingerprint data from an SD file or by using an existing chemistry
        toolkit. chemfp supports the Python libraries from Open Babel,
        OpenEye, and RDKit toolkits. Be aware that those vendors no longer
        support Python 2.7.
          
        The main web site is https://chemfp.com/ .
          
        Extensive documentation is at https://chemfp.readthedocs.io/ .
          
        To cite chemfp use:
          Dalke, Andrew. The chemfp project. J. Cheminformatics 11, 76
          (2019). https://doi.org/10.1186/s13321-019-0398-8
          https://jcheminf.biomedcentral.com/articles/10.1186/s13321-019-0398-8
        
Platform: UNKNOWN
Classifier: Development Status :: 5 - Production/Stable
Classifier: Environment :: Console
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: Unix
Classifier: Programming Language :: Python :: 2.7
Classifier: Programming Language :: Python :: 2 :: Only
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Topic :: Software Development :: Libraries :: Python Modules
Classifier: Intended Audience :: Science/Research
Description-Content-Type: text/plain
