NVIDIA BioNeMo kernels hit 7.1x speedup on triangle attention in Terray's drug discovery benchmarks
AllThingsApx · x · 2026-09-11
Terray Therapeutics benchmarked NVIDIA's newly released BioNeMo Inference Runtime kernels (CuTeDSL) on its production architecture for TerraBind, its binding affinity and structure prediction model.
Key results:
- TerraBind's dominant cost is the O(n³) triangle attention operation central to modern structure-based drug discovery
- On H100 GPUs, the new kernels are up to 7.1x faster than standard PyTorch attention and up to 1.8x faster than Terray's current optimized cuEquivariance kernel stack
- The advantage grows at larger crop sizes, which matter most for protein–ligand complexes
- Integration was straightforward: kernels running and benchmarked within a day of access, module-level swaps only, no pipeline rewrites required
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