Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Create data exploration tutorial #33

Closed
sfluegel05 opened this issue Jun 13, 2024 · 0 comments · Fixed by #46
Closed

Create data exploration tutorial #33

sfluegel05 opened this issue Jun 13, 2024 · 0 comments · Fixed by #46
Assignees
Labels
documentation Improvements or additions to documentation

Comments

@sfluegel05
Copy link
Collaborator

It would be useful for people new to chebai to have a short notebook that explains how the data is structured.
This notebook should include:

  • Instantiation of a data class (with explanation of common init parameters, e.g. chebi_version)
  • prepare / setup methods (why are they needed?)
  • a closer look at the different data files created
    • how is the file content structured? E.g. for a dict: what are the keys?
    • which information is stored in this files?
  • for an example molecule: show different encodings (e.g. parsed SMILES, SELFIES)
  • other things that might be useful
@sfluegel05 sfluegel05 added the documentation Improvements or additions to documentation label Jun 13, 2024
@aditya0by0 aditya0by0 self-assigned this Jun 23, 2024
@aditya0by0 aditya0by0 linked a pull request Aug 26, 2024 that will close this issue
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
documentation Improvements or additions to documentation
Projects
None yet
Development

Successfully merging a pull request may close this issue.

2 participants