Code for evaluation

Question

Code for evaluation

zaixizhang opened this issue 2 years ago · 1 comments

Hi, thanks for the awesome work.
I did not find the code to evaluate the generated molecules, e.g., the code to compute the affinity.
Would you kindly provide this part of code?

Answer 1 · 2022-08-29T05:20:37.000Z

Hi @zaixizhang, thanks for your interest. We include the simple evaluation code on Colab: https://colab.research.google.com/drive/1Ka0p-3N4NVDGn50YGvQlDV8-Ab2d01DT?usp=sharing. Hope this helps.