Michael Retchin

Using booleans in LanceDB

2

Hello, your friendly neighborhood computational chemist here! I'd like to be able to perform vector searches over binary / boolean fields (in this case, molecular fingerprints e.g., https://chemicbook.com/2021/03/25/a-beginners-guide-for-understanding-extended-connectivity-fingerprints.html). but it...

Working with macrocycles / G atoms

2

Hi Uni-Dock team. I'm working with some molecules for which carbon rings are broken to model them flexibly. Apparently this results in large discrepancies in the computed favorability of the...