GA with python

Genetic algorithm is sometime used for designing diversity compounds library set or optimising hyper parameter about QSAR etc…. I knew only one library about genetic algorithm in python ‘pyevolve’. Some days ago, I found another library deap. Development is active. I wrote sample to solve knapsack problem. Deap is installed by using pip or easy_install.Continue reading “GA with python”

View SDF using open source toolkit.

There are lots of commercial tools to visualize structures from SDF files. Also I often use Spotfire, etc in my lab, but not use in my house. In 2014RDKit-UGM open source SDF viewing tool was presented. Today I installed it and used. If reader who interested this tool, there is nice presentation in following link.Continue reading “View SDF using open source toolkit.”