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396 changes: 396 additions & 0 deletions contrib/models/OpenFold3/README.md

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47 changes: 47 additions & 0 deletions contrib/models/OpenFold3/src/__init__.py
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"""OpenFold3 on AWS Trainium 2.

Provides compilation and inference utilities for accelerating OpenFold3
biomolecular structure prediction on Neuron hardware using vanilla
torch_neuronx.trace() compilation with weight replacement.

Two PairFormer compilation strategies:
- Monolithic (N <= 256): Single PairFormerBlock trace per layer
- Decomposed (N > 256, up to 2048): N-range-aware sub-op traces with
fused TriMul and merged segments at small N, chunked MHA at large N
"""

from .modeling_openfold3 import (
OpenFold3NeuronPipeline,
DecomposedPairFormerCompiler,
PairFormerBlockWrapper,
MSABlockWrapper,
TemplatePairBlockWrapper,
DiffCondForwardWrapper,
TriMulProjectionWrapper,
TriMulBmmWrapper,
TriMulOutputWrapper,
TriMulFullWrapper,
TriMulBmmOutputWrapper,
FusedTriMulOutInWrapper,
TriAttnBiasWrapper,
TriAttnMHAWrapper,
TriAttnMHAChunkedWrapper,
TriAttnFullWrapper,
AttnPairBiasBiasWrapper,
AttnPairBiasMHAWrapper,
AttnPairBiasFullWrapper,
PairTransitionWrapper,
SingleTransitionWrapper,
create_dummy_batch,
patch_openfold3_source,
C_S,
C_Z,
C_M,
C_TOKEN,
CHUNKED_ATTN_THRESHOLD,
CHUNKED_ATTN_CHUNK_SIZE,
FUSED_TRIMUL_OUT_IN_MAX_N,
MERGED_TRIMUL_MAX_N,
MERGED_TRIMUL_BMM_OUTPUT_MAX_N,
MERGED_ATTN_MAX_N,
)
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