xnn.dnn.models#

Modules

ani

The ANI potential: per-element networks on the Atomic Environment Vector.

base

Shared base for descriptor + per-element-network potentials (HDNNP / ANI).

hdnnp

High-Dimensional Neural Network Potential (Behler-Parrinello, 2007).

physnet

PhysNet (Unke & Meuwly 2019): message-passing HDNN with explicit physics.