Le Tue, Jul 15, 2025 at 05:40:20PM +0100, Steffen Moeller a écrit : > > Boltz-2 is a new biomolecular foundation model that goes beyond > AlphaFold3 and Boltz-1 by jointly modeling complex structures and > binding affinities, a critical component towards accurate molecular > design. Boltz-2 is the first deep learning model to approach the accuracy > of physics-based free-energy perturbation (FEP) methods, while running > 1000x faster — making accurate in silico screening practical for > early-stage drug discovery.
Hi Steffen, this sound cool, maybe it can be useful to get in touch with the people at debian-ai@l.d.o who can comment to what extent Boltz-2 is really Free. From my quick check the raw data (250 Gb) is on the AWS, and maybe it could be asked to the authors to deposit it on Zenodo.org if it does not change often and makes a significant difference for Debian? Have a nice day, Charles -- Charles Plessy Nagahama, Yomitan, Okinawa, Japan Debian Med packaging team http://www.debian.org/devel/debian-med Tooting from home https://framapiaf.org/@charles_plessy - You do not have my permission to use this email to train an AI -
