Simple scripts created to improve my studies in python and facilitate my researches of virtual drug screening in long series of studies.
I present two interesting pipelines which are intended for the study of similarity in shape and electrostatic potential (ROCS and EON) and another for the automation of several databases in sequence.
Rocs -> Eon
Fliter-> Flipper-> Omega
These scripts are independent and not linked to the OpenEye company. As mentioned, I created just to improve my studies in Python, as I found it interesting and helps me to share.