MACE is my favorite among recent E(3)-equivariant MPNN models. Instead of relying only on the usual two-body messages, it computes node/fiber-wise higher order tensor products of irrep features.
Now available as pre-trained foundation model 🎉
Congrats
@IlyesBatatia
!
Our large collaborative effort shows the impressive range of applicability of foundational ML potentials, developed using only open-source data and software. More than 30 applications, including MOFs, catalysis, water, and more simulated with one model.
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