Skip to content

Conversation

@kimronica
Copy link
Contributor

No description provided.

@sweep-ai-deprecated
Copy link

Apply Sweep Rules to your PR?

  • Apply: Leftover TODOs in the code should be handled.
  • Apply: All new business logic should have corresponding unit tests in the tests/ directory.
  • Apply: Any clearly inefficient or repeated code should be optimized or refactored.

@kimronica kimronica marked this pull request as draft December 5, 2023 23:20
@kimronica
Copy link
Contributor Author

kimronica commented Dec 5, 2023

updated AF2 notebook: took out dependencies section, because it was not needed when packages were pre-installed into virtual environment. Also added a requirements.txt file manually tracking which packages were installed into a clean virtual environment.

Edited to add: I originally used JupterLab for the CPU notebook, but this time I used VS Code (if that makes a difference)

@kimronica kimronica marked this pull request as ready for review December 5, 2023 23:22
@kimronica kimronica marked this pull request as draft December 7, 2023 21:58
@kimronica
Copy link
Contributor Author

For GPU: same notebook will work as long as specific jax and jaxlib are properly installed (see requirements file).

Note: removing dependencies cells that created symbolic links seems to have broken ability for program to find specific files that in fact exist (e.g., hhsearch.py). The simplest inputs for protein alignment work on both CPU and GPU, but this bug needs to be looked into further to enable full capabilities of AF2 using this notebook.

@kimronica kimronica marked this pull request as ready for review December 7, 2023 22:03
@ktaletsk
Copy link
Contributor

I've got it running after creating a custom conda environment and minor changes to the code
image

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment

Labels

None yet

Projects

None yet

Development

Successfully merging this pull request may close these issues.

2 participants