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bviggiano
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September 30, 2026 20:19
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Fixes #178.
Running ESM3 in bf16 (the default for the published weights) fails on the forward pass with the following message:
mat1 and mat2 must have the same dtype.I found two places where this happens and applied patches:
EncodeInputs:ESM3.forwardfills pLDDT in as fp32, so the RBF features reach the bf16 pLDDT projections in fp32. They are now cast to the projection's dtype.GeometricReasoningOriginalImpl: the frames stay fp32 by design, so applying them to the bf16 vector projections fails. The geometric terms are now computed in fp32 and cast back beforeout_proj.I made sure the fp32 behaviour was unchanged. This PR adds
tests/models/esm3_test.pyandtests/layers/geom_attention_test.py, which both currently fail onmain.lint-allandcov-test` pass locally.Feel free to make any edits!