Table 2 Inference speed comparison on SwissProt E-RXN ASA test set between EasIFA and the baseline algorithmsa

From: Multi-modal deep learning enables efficient and accurate annotation of enzymatic active sites

Methods

GPU/CPU

Knowledge base size

Number test set samples

Inference Time

Time pre sample

EasIFA-NGb

1 RTX3060 GPU

SwissProt E-RXN ASA dataset: 44,341sequences

892

113 s

0.127 s

EasIFA-ESM

129 s

0.144 s

EasIFA-SaProt

146 s

0.164 s

BLASTp

CPU 1 threads

225 s

0.252 s

CPU 16 threads

131 s

0.146 s

CPU 1 threads

SwissProt: 569,516 sequences

1212 s

1.359 s

CPU 16 threads

262 s

0.294 s

AEGAN

RTX3060 1GPU + CPU 16 threads

16,841 PDB

>48 h

>200 s

Schrodinger-SiteMap

CPU 16 threads

na

>24 h

>100 s

  1. aThe bold represents the best.
  2. bWithout GearNet enzyme representation.