0.12.5

📦 Uncategorized

• refactor to rdFingerprintGenerator
  • PR: #226
• actions/checkout upgraded to v4
  • PR: #227

0.12.4

🚀 Features

• pass max_mols to Draw.MolsToGridImage
  • PR: #222

0.12.3

📦 Uncategorized

• Allow additional args for colors in lasso
  • PR: #223

0.12.2

🚀 Features

• Add rdkit as a pypi dep
  • PR: #219

0.12.1

🚀 Features

• Added function to get the number of stereoisomers
  • PR: #217

🐛 Fixes

• Added function to get the number of stereoisomers
  • PR: #217

0.12.0

🚀 Features

• Compat with latest RDKit 2023.09
  • PR: #216

0.11.5

🐛 Fixes

• Improve the ChEMBL drugs dataset
  • PR: #214

0.11.4

🐛 Fixes

• Fix ResourceWarning due to unclosed file
  • PR: #212

0.11.3

🐛 Fixes

• fix zero division error in conformers
  • PR: #209
• Make sure paths are string in datamol.fs.glob
  • PR: #210

0.11.2

🚀 Features

• Add two more datasets + ruff linting
  • PR: #208

🐛 Fixes

• fix small typos
  • PR: #207