wae dict |
|---|
{
"coordinates": [
[
0,
0
],
[
0,
1
],
[
0,
2
],
[
0,
15
],
[
0,
23
],
[
0,
24
],
[
0,
25
],
[
0,
26
],
[
0,
27
],
[
0,
28... |
Peptide Designer Data
This dataset contains derived assets for peptide WAE/GTM landscape building and inspection. It is intended for use with the DeepChemography peptide WAE model and the trained GTM manifold.
Contents
- Peptide WAE checkpoint:
models/peptides/model_344000.pt - Trained GTM model:
output/sampling_analysis/peptides_gtm_analysis/gtm_wae_model.pkl - Interactive landscape HTML files: 30
- GTM mode metadata:
gtm_modes.json - Responsibility analysis image:
gtm_responsibility_analysis.png - Analysis summary:
summary.txt
Raw DBAASP records and raw peptide source datasets are not redistributed in this upload.
Source and Attribution
Data were obtained from the DBAASP (https://dbaasp.org) which is an open-access AMP data resource supported by I. Beritashvili Center of Experimental Biomedicine (IBCEB), Tbilisi, Georgia and the National Institute of Allergy and Infectious Diseases (NIAID) Office of Cyber Infrastructure and Computational Biology (OCICB) in Bethesda, MD. These data were collected and submitted by members of the DBAASP team.
Please cite the DBAASP publication where appropriate:
Pirtskhalava M, Amstrong AA, Grigolava M, Chubinidze M, Alimbarashvili E, Vishnepolsky B, Gabrielian A, Rosenthal A, Hurt DE, Tartakovsky M. DBAASP v3: database of antimicrobial/cytotoxic activity and structure of peptides as a resource for development of new therapeutics, Nucleic Acids Research, Volume 49, Issue D1, 8 January 2021, Pages D288-D297, https://doi.org/10.1093/nar/gkaa991
Loading
Use the files directly from the dataset repo axelrolov/peptide_designer_data or download them with huggingface_hub.snapshot_download.
- Downloads last month
- -