MolDrug
MolDrug (from Molecule to Drug) is a Python package for drug-oriented optimization in the chemical space. It uses a Genetic Algorithm (GA) as a search engine in the chemical space and CReM library as a chemical structure generator.
MolDrug (from Molecule to Drug) is a Python package for drug-oriented optimization in the chemical space. It uses a Genetic Algorithm (GA) as a search engine in the chemical space and CReM library as a chemical structure generator.