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

Smiles2Vec model class in torch #3929

Draft
wants to merge 1 commit into
base: master
Choose a base branch
from

Conversation

harishwar017
Copy link

This PR ports Smiles2Vec model class to pytorch

Please check the option that is related to your PR.

  • Bug fix (non-breaking change which fixes an issue)

  • New feature (non-breaking change which adds functionality)

  • Breaking change (fix or feature that would cause existing functionality to not work as expected)

    • In this case, we recommend to discuss your modification on GitHub issues before creating the PR
  • Documentations (modification for documents)

  • My code follows the style guidelines of this project

    • Run yapf -i <modified file> and check no errors (yapf version must be 0.32.0)
    • Run mypy -p deepchem and check no errors
    • Run flake8 <modified file> --count and check no errors
    • Run python -m doctest <modified file> and check no errors
  • I have performed a self-review of my own code

  • I have commented my code, particularly in hard-to-understand areas

  • I have made corresponding changes to the documentation

  • I have added tests that prove my fix is effective or that my feature works

  • New unit tests pass locally with my changes

  • I have checked my code and corrected any misspellings

@harishwar017 harishwar017 marked this pull request as draft March 28, 2024 13:12
Copy link
Member

@rbharath rbharath left a comment

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

@harishwar017 Please come by office hours to discuss this Pr. There's a lot of work that will be needed before this is ready for merge. We recommend starting with a smaller PR such as documentation for a first PR to build understanding of DeepChem style

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.

None yet

2 participants