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Return Tensors in RDKit descriptor transform#164

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karinazad merged 2 commits intomainfrom
k/rdkit-descr-transforms-torch
Jul 29, 2025
Merged

Return Tensors in RDKit descriptor transform#164
karinazad merged 2 commits intomainfrom
k/rdkit-descr-transforms-torch

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@karinazad karinazad commented Jul 29, 2025

Description

Before, the return type was a list of np floats. This MR switches it to tensors and adds the transform to init

Type of Change

  • Bug fix
  • New feature
  • Documentation update
  • Performance improvement
  • Code refactoring

Testing

  • Tests pass locally
  • Added new tests for new functionality
  • Updated existing tests if needed

Checklist

  • Code follows style guidelines
  • Self-review completed
  • Documentation updated if needed
  • No breaking changes (or clearly documented)

@karinazad karinazad merged commit c65af85 into main Jul 29, 2025
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@karinazad karinazad deleted the k/rdkit-descr-transforms-torch branch July 29, 2025 19:18
taylormjs pushed a commit that referenced this pull request Jul 31, 2025
* rdkit descriptor transform returns tensor

* rdkit descriptor transform returns tensor
taylormjs pushed a commit that referenced this pull request Aug 1, 2025
* rdkit descriptor transform returns tensor

* rdkit descriptor transform returns tensor
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2 participants