https://pypi.org/project/chemfp/ Recent updates to the Python Package Index for chemfp en https://pypi.org/project/chemfp/1.6.1/ Reference baseline for high-performance cheminformatics fingerprint search benchmarking dalke@dalkescientific.com Fri, 21 Aug 2020 14:38:49 GMT https://pypi.org/project/chemfp/1.6/ Reference baseline for high-performance cheminformatics fingerprint search benchmarking dalke@dalkescientific.com Wed, 24 Jun 2020 12:58:22 GMT https://pypi.org/project/chemfp/1.5/ A set of command-line tools and a Python library for cheminformatics fingerprint creation and similarity search. dalke@dalkescientific.com Thu, 16 Aug 2018 21:20:26 GMT https://pypi.org/project/chemfp/1.4/ A set of command-line tools and a Python library for cheminformatics fingerprint creation and similarity search. dalke@dalkescientific.com Tue, 20 Mar 2018 01:30:42 GMT https://pypi.org/project/chemfp/1.3/ A set of command-line tools and a Python library for cheminformatics fingerprint creation and similarity search. dalke@dalkescientific.com Mon, 18 Sep 2017 17:09:31 GMT https://pypi.org/project/chemfp/1.1p1/ chemfp is a set of command-lines tools for generating cheminformaticsfingerprints 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 bitfingerprints which occur in small-molecule/pharmaceuticalchemisty. The Tanimoto search algorithms are implemented in C forperformance and support both threshold and k-nearest searches.Fingerprint generation can be done either by extracting existingfingerprint data from an SD file or by using an existing chemistrytoolkit. chemfp supports the Python libraries from Open Babel,OpenEye, and RDKit toolkits. dalke@dalkescientific.com Thu, 21 Feb 2013 01:33:48 GMT https://pypi.org/project/chemfp/1.0/ chemfp is a set of command-lines tools for generating cheminformaticsfingerprints 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 bitfingerprints which occur in small-molecule/pharmaceuticalchemisty. The Tanimoto search algorithms are implemented in C forperformance and support both threshold and k-nearest searches.Fingerprint generation can be done either by extracting existingfingerprint data from an SD file or by using an existing chemistrytoolkit. chemfp supports the Python libraries from Open Babel,OpenEye, and RDKit toolkits. dalke@dalkescientific.com Tue, 20 Sep 2011 21:25:33 GMT