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2023-03-26

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@mariogeiger mariogeiger released this 26 Mar 11:04
· 274 commits to main since this release

This release fix the gradients of xyz_to_angles: instead of returning NaN on the poles, it now returns zero.

Angles alpha and beta on the sphere:
Screenshot 2023-03-26 at 6 58 48 AM
(x-axis points to the right, y-axis to the top and z-axis comes out of the image)

Gradients of alpha wrt (x, y, z) respectively:
Screenshot 2023-03-26 at 6 59 49 AM

Gradients of beta wrt (x, y, z) respectively:
Screenshot 2023-03-26 at 7 01 12 AM

Fixed

  • Fix NaN in the gradients of e3nn.xyz_to_angles. The gradients are now 0 when the input is on the poles.