Minor fix about Macrocycle #1

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

Open

XiaoKonglong99 wants to merge 1 commit into PangeAI:main from XiaoKonglong99:main

XiaoKonglong99 commented Apr 17, 2025

ring size more than or equals to 12 are considered as a Macrocycle, while Bender's version use is ring_size > 12
In the last digital of ring part, if this compounds has a MC return 1, here we changed it to the exact number of macrocycle - ring


          Minor fix about Macrocycle

910f520

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

Labels

None yet