v2.10.3

Highlights

• Fixed cuequivariance triangle multiplication kernel crashes by falling back to PyTorch when kernels are unavailable or unsupported.
• Fixed forced contact restraints losing all signal when union weighting underflowed for large distance violations.
• Fixed an incorrect contact-union gradient sign so soft-OR contact restraints apply gradient pressure with the correct magnitude across union members.

Details

• Triangle multiplication now treats known triangle_multiplicative_update import/support failures as recoverable, warns once, and disables both incoming/outgoing kernel paths for the rest of the process.
• Unexpected kernel errors still surface instead of being silently swallowed.
• Contact-union weighting now uses numerically stable normalization to avoid float32 underflow on large violations.
• Contact-union gradients now match finite-difference checks, and negative union indices are rejected clearly.

Acknowledgment

Thanks to upstream PR jwohlwend#682 for identifying the kernel fallback and contact restraint areas that motivated these community fixes.

Commits since v2.10.2

• 7032160 Fix contact union gradients and kernel fallback
• 94b0d86 Bump version to 2.10.3