Efficient Bits
Algorithms, data structures, and utilities for processing chemical information
Tuesday, 30 December 2014
CDK Release 1.5.10
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CDK 1.5.10 has been released and is available from sourceforge ( download here ) and the Maven central repository (XML 1). This release f...
Wednesday, 24 December 2014
CDK Release 1.5.9
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CDK 1.5.9 has been released and is available from sourceforge ( download here ) and the EBI maven repo (XML 1). This is the first rel...
Monday, 1 December 2014
Memory Mapped Fingerprint Index - Part II
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This post follows up on the previous to report some timings. I've checked all the code into GitHub ( johnmay/efficient-bits/fp-idx ) and...
Wednesday, 26 November 2014
Memory Mapped Fingerprint Index - Part I
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I attended an interesting talk this afternoon ( CCNM ) by Matt Swain on using MongoDB for chemical similarity searching (code: github/mcs0...
Sunday, 16 November 2014
Fun (and abuse) of implicit methods
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Earlier this year I wrote up some Chemical Toolkit Rosetta examples of using the CDK in Scala ( github/cdk/cdk-scala-examples ). When I w...
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