This repository contains implementations and illustrative code to accompany DeepMind publications
Geek Repo:Geek Repo
Github PK Tool:Github PK Tool
DeepDevIA opened this issue 7 months ago · comments
Hi there, how it can do the type of calculation charge delocalization ionized adenine-thymine pair That montioned in the paper (see image) and what the program used (pyscf or another ) is there an inpute file for the calculation ? thanks