ESCN export II #848
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ESCN export II #848
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Codecov ReportAttention: Patch coverage is
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misko
previously approved these changes
Sep 17, 2024
misko
approved these changes
Sep 17, 2024
misko
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Jan 17, 2025
* temp fix to train mptraj * add compile option * move jd to init * fix dynamic export * add value testing for export * update test * lint * update comment * update forward code * reraise error * wrap escn * revert packages * format Former-commit-id: 362482e00920bea5af5bf7fcb9c035bd62966aa6
beomseok-kang
pushed a commit
to beomseok-kang/fairchem
that referenced
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Jan 27, 2025
* temp fix to train mptraj * add compile option * move jd to init * fix dynamic export * add value testing for export * update test * lint * update comment * update forward code * reraise error * wrap escn * revert packages * format Former-commit-id: becd99da79beed9d72e119fcefcc31cf5410131b
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This escn model trains and fully compiles/exports. Note: only the
forwardfunction is exportable.To make this model compatible with fairchem and trainable, we wrapped the forward function that accepts the current torch.geometric.Batch inputs and generates the graph on the fly.