New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Jump to bottom

ΔvinaRF20 as an custom scoring fuction in gnina #2

Open

Le-Phung-Hien opened this issue Jun 20, 2023 · 0 comments

Le-Phung-Hien commented Jun 20, 2023

Hi Cheng,

Thanks for the great work.

I want to use ΔvinaRF20 together with the CNNScore from gnina, which is a fork of smina

Since smina and gnina allows the use of custom scoring function, I wonder if ΔvinaRF20 could be employed as a custom scoring function for gnina.

This is an example of a custom fuction file: https://github.com/gnina/gnina/blob/master/examples/kitchensink.score

Thank you very much.

Best regards,

Hien

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment