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    LP CSIC/UAB Apps and Code

    LP CSIC/UAB Apps and Code

    Software and Code from Laboratori de Proteòmica CSIC/UAB

    Software, Code and Documents from Laboratori de Proteòmica CSIC/UAB ( LP-CSIC/UAB: http://proteomica.uab.cat )
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    ParaSim

    ParaSim

    Parallelized calculation of molecular similarities

    Diversity assessments and comparisons of large compound databases require calculating similarities of millions of compounds in an affordable time. ParaSim addresses this challenge by parallelizing the calculations according to the number of computing cores available on a single machine. It is optimized for the throughput of very large numbers of query structures against very large numbers of reference structures. As as special feature, ParaSim allows to store and and to access frequently...
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