Package: wnpp Severity: wishlist Owner: Steffen Moeller <moel...@debian.org> X-Debbugs-Cc: debian-de...@lists.debian.org, moel...@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.
