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v0.1

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@sveccham sveccham released this 09 Oct 21:26
· 34 commits to main since this release

cuik-molmaker release v0.1
This is the first release of cuik-molmaker. This release include the following features:

  1. Atom features and bond features in implemented in C++
  2. Single and batched featurization of SMILES strings
  3. Ability to control how SMILES is parsed and how features are rendered