📢Mingda Li and colleagues develop CrysVCD, a valence-constrained approach for efficient crystal generation. @mitchemistry.bsky.social @mitcheme.bsky.social www.nature.com/articles/s43... #chemsky 🔓 rdcu.be/fCeRM
nature.comEnhancing materials discovery with valence-constrained design in generative modeling - Nature Computational ScienceThis work presents an efficient and modular framework called CrysVCD, which integrates chemical rules directly into the generative process for valence-constrained design.
0 reposts1 like