This is a heavily interactive web application, and JavaScript is required. Simple HTML interfaces are possible, but that is not what this is.
Post
Digital Discovery
digital-discovery.rsc.org
did:plc:s4snz4adsvi34nzdf27mcuek
Are molecular graphs really necessary to represent molecules? Research from Klein, Rudenko, Bushmarinov and Pidko argues that powerful vector representations can be learned from 3D geometries alone, via contrastive training on conformers.
👉https://doi.org/10.1039/D6DD00096G
#openaccess #MolecularGraphs
2026-06-04T10:46:18.766Z