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

Stable sort edges in network generation #1039

Open

IAlibay opened this issue Dec 6, 2024 · 0 comments

Assignees

Member

IAlibay commented Dec 6, 2024

Edges are currently being sorted by gufe key and that's causing a ton of issues.

A possible solution is that we instead sort by InChiKey or any other stable chemical indentity sort.

IAlibay assigned jthorton

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