Egnn

[yuehhua]

Would you please move codes in src/layers/conv.jl to src/layers/groups.jl?

[yuehhua]

I am considering another design here. Maybe we can take two message-passing layers: one for node embedding, the other for coordinate embedding. From the paper equation (3)~(6), we can organize them into two message-passing layers:

For node embedding:

• message function (3): $m_{ij} = \phi_e(h_i^l, h_j^l, ||x_i^l - xj^l||^2, a{ij})$
• aggregate (5): $m_i = \sumj m{ij}$
• update function (6): $h_i^{l+1} = \phi_h(h_i^l, m_i)$

For coordinate embedding (4):

• message function: $y_{ij} = (x_i^l - x_j^l)\phix(m{ij})$
• aggregate: $yi = \frac{1}{M-1} \sum{j \ne i} y_{ij}$
• update function: $x_i^{l+1} = x_i^l + y_i$

Thus, it form a nested message-passing layer.

[yuehhua]

@emsal0 Thank you so much!