The journey of a cheminformatics scientist
I have been meaning to write this blog post for a while, but I keep postponing it for a variety of reasons. One of them is that I couldn’t find the time to sit down and organize my thoughts on this. Another reason is this subject feels quite personal to me. As an introvert who…
In this tutorial, I will show how to generate reaction-based molecules with python code tutorials. I previously developed PKS Enumerator and SIME software tools which are used to design virtual libraries of macrocycles/macrolides. Both were based on a string- or template-based enumeration, and I will write a tutorial on how to do that in a…