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Performance

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Performance will also vary significantly depending on:

  • The type of NVIDIA GPUs that are attached and available to the NIM
  • The CPU type
  • System RAM available

The following section details some performance expectations and provides general tips. These are not meant to be indicative of expected performance and performance on your system will vary from these values.

Performance Benchmarks

The following are performance benchmarks for OpenFold2.

  • Structure prediction performance is mostly dependent on GPU capability and memory. If you find structure prediction to be a bottleneck, consider using a higher memory device.

  • The time required for structure prediction grows with sequence length.

  • The time required for structure prediction grows with the total number of sequences in the the alignements.

  • Below are benchmark times, measured for each input chain, in sequential execution on a single ‘NVIDIA H100 80GB HBM3’.

  • The average value of LDDT-CA, for these protein chains, averaged over 2 runs, is 0.86.

protein chain id7WBN_A7ONG_A7ZHT_A7Y4I_A
sequence length98304562914
time*5.3110.219.641.2

*time to load parameter sets, compute features, and do forward pass, averaged over the 5 models [1, 2, 3, 4, 5]

algo feature / parametersetting
use_templatesFalse
selected_models[1,2,3,4,5]
relax_predictionFalse
deepspeed evoformer kernelactive
precision for deepspeed evoformer kernelbf16
precision for the rest of the modelfp32