Evolutionary

  • LEADD: Lamarckian evolutionary algorithm for de novo drug design (standalone)
    Code Last Commit

    Publication JIF

  • MolDrug: MolDrug is a Python package for drug-oriented optimization in the chemical space, using a Genetic Algorithm as a search engine and CReM library as the chemical structure generator.
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    Publication

  • MolFinder: MolFinder: an evolutionary algorithm for the global optimization of molecular properties and the extensive exploration of chemical space using SMILES
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    Publication JIF