6ad34e5887f847aeb9f681e8f290d5877b76e52b,torch_geometric/nn/models/schnet.py,GaussianSmearing,forward,#GaussianSmearing#Any#,105

Before Change

    def forward(self, distances):
        coeff = -0.5 / torch.pow(self.widths, 2)
        gauss = torch.exp(coeff * torch.pow(distances - self.offsets, 2))
        return gauss


class ShiftedSoftplus(nn.Module):

After Change

        self.register_buffer("offset", offset)

    def forward(self, dist):
        dist = dist.view(-1, 1) - self.offset.view(1, -1)
        return torch.exp(self.coeff * torch.pow(dist, 2))


class ShiftedSoftplus(torch.nn.Module):

Instances