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Name: chemfp
Version: 1.1p1
Summary: chemfp is a set of command-lines tools for generating cheminformatics
fingerprints and searching those fingerprints by Tanimoto similarity,
as well as a Python library which can be used to build new tools.
These algorithms are designed for the dense, 100-10,000 bit
fingerprints which occur in small-molecule/pharmaceutical
chemisty. The Tanimoto search algorithms are implemented in C for
performance and support both threshold and k-nearest searches.
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.
Home-page: http://code.google.com/p/chem-fingerprints/
Author: Andrew Dalke
Author-email: dalke@dalkescientific.com
License: MIT
Description: UNKNOWN
Platform: UNKNOWN
Classifier: Development Status :: 5 - Production/Stable
Classifier: Environment :: Console
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: OS Independent
Classifier: Programming Language :: Python
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Topic :: Software Development :: Libraries :: Python Modules
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