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Unverified Commit 28b09047 authored by Chang Liu's avatar Chang Liu Committed by GitHub
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[Example][Bugfix] Fix dimenet example (#4219) 


Co-authored-by: default avatarXin Yao <xiny@nvidia.com>
parent 9ee7ced5
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examples/pytorch/dimenet/modules/bessel_basis_layer.py
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...@@ -17,7 +17,9 @@ class BesselBasisLayer(nn.Module): ...@@ -17,7 +17,9 @@ class BesselBasisLayer(nn.Module):
self.reset_params() self.reset_params()
def reset_params(self): def reset_params(self):
with torch.no_grad():
torch.arange(1, self.frequencies.numel() + 1, out=self.frequencies).mul_(np.pi) torch.arange(1, self.frequencies.numel() + 1, out=self.frequencies).mul_(np.pi)
self.frequencies.requires_grad_()
def forward(self, g): def forward(self, g):
d_scaled = g.edata['d'] / self.cutoff d_scaled = g.edata['d'] / self.cutoff
......
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