//
sign in
Post
by @danabra.mov
PostEmbed
by @danabra.mov
Record
by @jimpick.com
Record
by @atsui.org
+ new component
Post
📢Out now! Julian Cremer and colleagues present FLOWR🌸, a structure-based flow-matching framework to generate and optimize 3D ligands. www.nature.com/articles/s43... #chemsky
17d
FLOWR combines continuous and categorical flow matching with equivariant optimal transport and a separate protein pocket encoder to improve validity, pose accuracy and interaction recovery at substant...
www.nature.com
FLOWR: flow matching for structure-aware de novo, interaction- and fragment-based ligand generation - Nature Computational Science
Nature Computational Science