Bug#1109350: ITP: boltz -- family of models for biomolecular interaction prediction
Package: wnpp
Severity: wishlist
Owner: Steffen Moeller <moeller@debian.org>
X-Debbugs-Cc: debian-devel@lists.debian.org, moeller@debian.org
* 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.
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