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Published June 22, 2023 | Version 0.11.1
Software Open

datamol-io/datamol: 0.11.1

  • 1. Valence
  • 2. Valence Discovery
  • 3. @valence-discovery | @valence-platform
  • 4. Recursion Pharmaceuticals
  • 5. The Rizzo Group
  • 6. Patsnap
  • 7. SDS Data Science Group @dsgiitr
  • 8. @ml-gde
  • 9. @deepsourcelabs

Description

πŸš€ Features
  • Rewrite dm.viz.circle_grid with RDKit's canvas and support grid image for lasso highlight
    • PR: #203
  • Better control of the circular layout in circle_grid
    • PR: #206
  • Add two new functions to remove salts and solvents from a molecule
    • PR: #201
πŸ› Fixes
  • Rewrite dm.viz.circle_grid with RDKit's canvas and support grid image for lasso highlight
    • PR: #203
  • Better control of the circular layout in circle_grid
    • PR: #206

Files

datamol-io/datamol-0.11.1.zip

Files (3.8 MB)

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