Fig. 3: Schematic depiction of the SpookyNet architecture with color-coded view of individual components. | Nature Communications

Fig. 3: Schematic depiction of the SpookyNet architecture with color-coded view of individual components.

From: SpookyNet: Learning force fields with electronic degrees of freedom and nonlocal effects

Fig. 3: Schematic depiction of the SpookyNet architecture with color-coded view of individual components.

a Architecture overview, for details on the nuclear and electronic (charge/spin) embeddings and basis functions, refer to Eqs. (9), (10), and (13), respectively. b Interaction module, see Eq. (11). c Local interaction block, see Eq. (12). d Nonlocal interaction block, see Eq. (18). e Residual multilayer perceptron (MLP), see Eq. (8). f Pre-activation residual block, see Eq. (7).

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