MolecularDiffusion.modules.layers.e3x

A faithful PyTorch reimplementation of the e3x surface DiTMC calls.

Scope is deliberately “the call sites, not the library”. Not ported, because no DiTMC config path reaches them: FusedTensor (both call sites pass use_fused_tensor=False), the cutoff functions (dit_so3 sets cutoff_fn: null and the factory raises otherwise), e3x.nn.Embed, MessagePass, TensorDense, ExponentialBasis, damping_fn, and the sinc/gaussian/chebyshev/exponential_* radial families.

Global e3x config pins, hard-coded here rather than left implicit: cartesian_order = True, normalization = 'racah', use_fused_tensor = False.

Submodules