Applications - ReCGen

ReCGen: Generate virtual compounds based on input structure

• Build

• 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