Docker AutoEncoders for MD Analysis tutorial
Version 1

Workflow Type: Docker

Stable

AutoEncoders for Anomaly Detection tutorial using BioExcel Building Blocks (biobb)

This tutorial involves the use of a multilayer AutoEncoder (AE) for feature extraction and pattern recognition by analyzing Molecular Dynamic Simulations, step by step, using the BioExcel Building Blocks library (biobb).

Copyright & Licensing

This software has been developed in the MMB group at the BSC & IRB for the European BioExcel, funded by the European Commission (EU Horizon Europe 101093290, EU H2020 823830, EU H2020 675728).

Licensed under the Apache License 2.0, see the file LICENSE for details.

SEEK ID: https://workflowhub.eu/workflows/2146?version=1

DOI: 10.48546/workflowhub.workflow.2146.1

Version History

Version 1 (earliest) Created 27th Mar 2026 at 09:34 by Genís Bayarri

Initial commit

Frozen Version-1 bbb56eb

Creators and Submitter

Creators

Submitter

Genís Bayarri

Discussion Channels

BioExcel Workflows

Download from GHCR

Citation

Bayarri, G., & Hospital, A. (2026). Docker Notebook AutoEncoders for MD Analysis tutorial. WorkflowHub. https://doi.org/10.48546/WORKFLOWHUB.WORKFLOW.2146.1

License

Apache License 2.0 (Apache-2.0)

Activity

Views: 184 Downloads: 61

Created: 27th Mar 2026 at 09:34

Last updated: 27th Mar 2026 at 09:46

Docker AutoEncoders for MD Analysis tutorial Version 1