Hacktoberfest 2026: the issues maintainers tagged for October, open and beginner-friendly. Browse Hacktoberfest issues

reference data for TYK2 example

Open
#76 1 comment 0 reactions 0 assignees View on GitHub

Nobody has claimed this yet.

Assessment

Difficulty
2/5
Estimated time
1-3 hours
Newbie friendliness
25/100
Issue type
Documentation
Clarity
Needs clarification
Activity status
Stale
Tech stack
jupyter-notebook
Domain
cli, documentation

Research direction

Start with the CLI tutorial's final DDGBind step and inspect the TYK2 example notebooks for reference or experimental data. Done means identifying comparison data and documenting where it is available, or clearly stating that it is unavailable.

Written by the indexing model from the issue text.

Description

1.0docdrive

Hi all,

Thank you for putting up such a nice tutorial! I'm able to run it through very smoothly. Question regarding the CLI tutorial, after the last step once the DDGBind is calculated, is the reference/experimental data available to be compared with so that I know how good the calculated DDGBind is? Thanks.

Dominant language
Jupyter Notebook
Stars
70
Forks
15
Avg merge
4d 11h
Merged PRs (30d)
4

Contributor guide

No contributing guide indexed for this repository

First steps

  1. Read the whole issue, then the project's contributing guide.
  2. Comment on the issue to say you are picking it up — it saves two people doing the same work.
  3. Fork the repository and make your change on a branch.
  4. Open a pull request that references the issue number.

More from OpenFreeEnergy/ExampleNotebooks

All issues in OpenFreeEnergy/ExampleNotebooks

Similar issues

More CLI issues

Get new issues in your inbox

A short digest of beginner-friendly GitHub issues.