Linear

Tensor Square

MLP

Node Position \(\mathbf X\in\mathbb R^3\)

Node Features \(\mathbf V^{l=0:l_{\max}}\)

Node Position \(\mathbf X\in\mathbb R^3\)

Node Features \(\mathbf V^{l=0:l_{\max}}\)

Norm

\(\mathbf V^{l=0}\)

Node Position \(\mathbf X_{1:K}\)

Node Features \(\mathbf V^{l=0:l_{\max}}_{1:K}\)

Node Position \(\mathbf X\in\mathbb R^3\)

Node Features \(\mathbf V^{l=0:l_{\max}}\)

Norm

Linear

Average

Linear

Average

Node Position \(\mathbf X_{1:N}\)

Node Features \(\mathbf V^{l=0:l_{\max}}_{1:N}\)

Node Position \(\mathbf X\in\mathbb R^3\)

Node Features \(\mathbf V^{l=0:l_{\max}}\)

k-NN

Embed

MLP

Tensor Product

Linear

Norm

Linear

Node Position \(\mathbf X\in\mathbb R^3\)

\(C_\alpha\) Position \(\mathbf X^\alpha\in\mathbb R^3\)

Residue Label \(\mathbf R \in \mathcal R\)

Softmax

Node Features \(\mathbf V^{l=0:2}\)

Unordenable

Ordenable

Heavy Atom Relative Positions \(\mathbf X^\ast \in \mathbb R ^{n \times 3}\)

Node Position \(\mathbf X_{1:K}\)

Node Features \(\mathbf V^{l=0:l_{\max}}_{1:K}\)

Node Position \(\mathbf X\in\mathbb R^3\)

MLP

Softmax

\(\mathbf V^{l=0}_{1:K}\)

\(\sum w_k \mathbf X_k\)

Relative Vectors

Node Features \(\mathbf V^{l=0:l_{\max}}\)

Linear