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Applications - ReCGen

ReCGen: Generate virtual compounds based on input structure

  • Run a library-building job using ReCGen

    recgen build --input ./ReCGen/examples/sample5.mol

    Benchmark testing

    3 samples from ReCGen source codes have been used for benchmark in a cloud server with a 20-core CPU and 16 GB memory. A job for each sample has run 10 times.

    Sample Average Duration (seconds) Standard Deviation
    sample 2 218.00 0.36
    sample 3 5006.35 20.06
    sampel 5 380.18 0.50

    Free version

    ReCGen currently not supported

    Pro version

    The pro version runs the jobs on a cluster comprised of 80 nodes (1 core, 2 GB).

    Sample 2 - 10 seconds

    Sampel 3 - 3 minutes 1 second

    Sampel 5 - 34 seconds