Potential bug in OutputPPBlock of DimeNet++

[arunppsg]

In the following line in reset_parameters method of OutputPPBlock used in DimeNet++,

https://github.com/Open-Catalyst-Project/ocp/blob/b5a197fc3c79a9a5a787aabaa02979be53d296b7/ocpmodels/models/dimenet_plus_plus.py#L192

I think that initializing the weights of the linear layer to 0 will produce an output of 0. Probably, it should be
glorot_orthogonal(self.lin.weight, scale=2.0)

[mshuaibii]

Not quite. While it's true they are initialized to 0 and the very first forward pass outputs 0, a single backwards call will update these parameters to nonzero. It's always possible to explore better initialization schemes, but as is, this isn't an issue. The original DimeNet++ implementation offers the flexibility for both schemes, both working better for different targets

[arunppsg]

Sorry, I overlooked it. Thanks!