Fast contracted Clebsch--Gordan tensor products for equivariant graph neural networks

Anton Bochkarev, Yury Lysogorskiy, Ralf Drautz

We present an $\mathcal{O}(L^3)$ algorithm for evaluating contracted Clebsch--Gordan tensor products in $\mathrm{O}(3)$-equivariant machine learning potentials at fixed Canonical P…