James Fraser

fraserlab.com

11 October 2026 11:01

I hear so much about the growing power of predictive biology, especially in drug discovery and "co-folding". I want to see people put their GPU budget where their mouth is!

gregori

gregori.bsky.social

29 September 2026 21:51

No cheating. Share the last photo of the sky from your camera roll.

Greg Landrum

greglandrum.bsky.social

26 September 2026 07:53

Thanks Taka

Greg Landrum

greglandrum.bsky.social

26 September 2026 02:28

Thanks for the post Taka. I'm trying to reproduce it using the newest (not yet released) version of the conformer generator. Can you tell me which version of the RDKit you used for the post and what you used as a random number seed when you did the runs?

Egor Marin

marinegor.bsky.social

12 September 2026 12:39

true! I have different attitude towards specifically cheminformatics in rust since my rust interest sparkled with Rich Apodaca's projects, which are sadly never came to life as the author intended. But I see a great future for the technology nevertheless :)