Skip to main content
. Author manuscript; available in PMC: 2022 Mar 8.
Published in final edited form as: J Chem Inf Model. 2020 Sep 10;60(9):4200–4215. doi: 10.1021/acs.jcim.0c00411

Table 1:

Number of parameters and time for a forward pass and backwards pass on a NVIDIA TITAN Xp for each model. The reported time is the average time per a single input complex averaged across 10 runs where each run consisted of 1000 iterations of batch size 50.

Model Parameters Forward ± SD (ms) Backward ± SD (ms)
Def2017 383,616 1.110 ± 0.0259 1.151 ± 0.0286
Def2018 388,736 1.147 ± 0.0334 1.369 ± 0.0363
HiRes Affinity 1,106,560 10.375 ± 0.181 20.640 ± 0.360
HiRes Pose 964,224 5.452 ± 0.0597 8.381 ± 0.918
Dense 684,640 8.116 ± 1.550 15.712 ± 0.180