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  • Bug#1109350: ITP: boltz -- family of models for biomolecular interactio

    From Steffen Moeller@21:1/5 to All on Tue Jul 15 18:40:01 2025
    XPost: linux.debian.devel

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  • From Charles Plessy@21:1/5 to All on Wed Jul 16 08:00:02 2025
    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 [email protected] 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 -

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