* Package name    : boltz
  Version         : 2.2.0
* URL             : https://github.com/jwohlwend/boltz
* License         : MIT/X
  Programming Lang: Python
  Description     : family of models for biomolecular interaction prediction

 This package addresses the need to derive a 3D representation of
 protein sequences, and as an extra it considers the binding to
 a ligand, which could for instance be a drug or the substance of
 an enzyme.
 .
 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.

The packaging of boltz and some yet missing dependencies will be
performed transparently on Debian Med.

Le Tue, Jul 15, 2025 at 05:40:20PM +0100, Steffen Moeller a écrit :

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

Le Tue, Jul 15, 2025 at 05:40:20PM +0100, Steffen Moeller a écrit :

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