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README.md

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README file for test folder of DENOPTIM

  • PtCOLX2: playground example for evolutionary de novo design.

  • PtCOLX2_FSE: playground example for combinatorial design.

  • cyclicpeptide: playground example for evolutionary de novo design.

  • functional_tests: collection of automated runs testing the functionality of DENOPTIM (integration tests).

  • diamonds: numerical example for development of template-related functionality.

  • polycycle: numerical example for development of template-related functionality.