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Published 20 hours ago • verified publisher icon rdkit

SIMPD split [suggestion]

Open rflameiro opened this issue 1 year ago • 1 comments

I just read the SIMPD preprint, congrats to the team for a great idea and implementation! It would be great to have this approach easily available in PREFER.

rflameiro avatar Sep 29 '23 01:09 rflameiro

Thanks for the suggestion! We were thinking on adding this in the repository since we already use SIMPD splitting within PREFER for the results showed in the paper. Keep you posted on that!

Jlanini avatar Oct 03 '23 07:10 Jlanini