Skip to content

Conversation

@isty2e
Copy link

@isty2e isty2e commented Sep 25, 2025

Changelogs

  • add datamol.convert.to_binary() using Mol.ToBinary()
  • extend datamol.mol.to_mol() to accept a binary string as input
  • add datamol.convert.to_dict() using rdkit.Chem.rdMolInterchange
  • add datamol.convert.from_dict()
  • add corresponding tests

Checklist:

  • Was this PR discussed in an issue? It is recommended to first discuss a new feature into a GitHub issue before opening a PR.
  • Add tests to cover the fixed bug(s) or the new introduced feature(s) (if appropriate).
  • Update the API documentation is a new function is added, or an existing one is deleted.
  • Write concise and explanatory changelogs below.
  • If possible, assign one of the following labels to the PR: feature, fix or test (or ask a maintainer to do it for you).

Related to #230

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.

1 participant