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Applications - ReCGen
ReCGen: Generate virtual compounds based on input structure
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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