Skip to content

ljocha/ASMSA

Folders and files

NameName
Last commit message
Last commit date

Latest commit

74092e2 · Mar 11, 2025
Mar 11, 2025
Sep 12, 2022
Feb 14, 2023
Oct 10, 2023
Oct 2, 2024
Apr 17, 2023
Oct 2, 2024
Jul 12, 2024
Oct 2, 2024
Feb 14, 2023
May 3, 2022
May 3, 2022
Mar 11, 2024
Feb 14, 2023
Jun 20, 2024
Oct 15, 2024
Feb 14, 2023
Apr 22, 2022
Mar 11, 2025
Feb 14, 2023
Apr 17, 2023
Apr 17, 2023
Jan 18, 2024
Feb 14, 2023
Feb 14, 2023
Jun 3, 2022
Mar 11, 2025
Mar 11, 2025
May 31, 2022
Nov 26, 2024
Oct 16, 2024
Jul 12, 2024
Oct 16, 2024
Oct 2, 2024
Jun 17, 2022
Feb 14, 2023
Mar 19, 2022
Mar 11, 2025
Nov 27, 2024
Jun 16, 2023
Feb 14, 2023
Feb 14, 2023
Feb 14, 2023
Feb 14, 2023
Feb 14, 2023
Mar 11, 2024

Repository files navigation

ASMSA

Analysis and Sampling of Molecular Simulations by adversarial Autoencoders

Binder is likely to be broken right now :-( Binder

Description

TODO

Badges

TODO

Getting started

TODO

Test and Deploy

Full support for distributed hyperparameter tuning is available at CERIT-SC Jupyterhub:

  1. Go to https://hub.cloud.e-infra.cz/ and log in with your Metacentrum account
  2. Either click on Start my server for the default, or type a specific name and click Add New Server
  3. Fill in the submit form:
    • Select an image: Custom
    • Custom image name: ljocha/asmsa:2023-19
    • Select persistent home type: New at the first time, Existing is prefered afterwards
    • Select persistent home (when Existing in the previous choice): pick you prefered one, or stick with the only one offered
    • I want MetaCentrum home: no
    • Would you like to connect project directory: no
    • Select number of CPUs: 2 (it's enough for the notebook, parallel workers are not counted here)
    • Memory: 8 GB (appears to be enough for this usecase)
    • GPU: None (it turns out that our models are too small to leverage GPU accelleration)
  4. Click on Start
  5. Depending on the container image cache status Jupyterlab starts in few seconds (the image was cached) or several minutes (it must be downloaded)
  6. click on asmsa.ipynb in the left panel and follow instructions in the notebook

Visuals

TODO (screenshots, ...)

Installation

TODO

Usage

TODO

Support

TODO

License

TODO

Project status

In development... No main usable version released yet

About

No description, website, or topics provided.

Resources

Stars

Watchers

Forks

Releases

No releases published

Packages

No packages published