From 201879f5048be52db6882acfafb7dbbb9a37a6be Mon Sep 17 00:00:00 2001 From: Giulia Crocioni <55382553+gcroci2@users.noreply.github.com> Date: Fri, 22 Sep 2023 12:26:33 +0200 Subject: [PATCH] Update README.md Co-authored-by: Dani Bodor --- README.md | 4 +++- 1 file changed, 3 insertions(+), 1 deletion(-) diff --git a/README.md b/README.md index 70ad86418..ac7604a0b 100644 --- a/README.md +++ b/README.md @@ -318,7 +318,9 @@ trainer.test() ## Computational performances -The data generation process is rather efficient within DeepRank2. As an example, we show the time required to process the tutorials' PDB files available at [this](https://zenodo.org/record/8187806) Zenodo address. Atomic resolution and `distance_cutoff` of 5.5 Å have been used for both PPIs and SRVs, and the SRVs `radius` was set to 10 Å. The experiments are done on Apple M1 Pro, using 1 CPU only. Measures are computed on 100 data points for PPIs, and 96 for SRVs. +We measured the efficiency of data generation in DeepRank2 using the tutorials' [PDB files](https://zenodo.org/record/8187806) (+/- 100 data points per data set). +Below results were obtained as an average of X runs, on Apple M1 Pro, using a single CPU. +Parameter settings as follows: resolution: atomic; `distance_cutoff`:5.5 Å; radius (for SRV only): 10 Å. | | [Features modules](https://deeprank2.readthedocs.io/en/latest/features.html) used | Comments | Data processing speed **[seconds/structure]** | Memory **[megabyte/structure]** | |------|---------------------------------------------------------------------------------------------------------|-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------|:----------------------------------------------------------:|:--------------------------------:|