🛠️ What’s New in v0.4.5?
1️⃣ Bug fixes:
• Safe-inference now handles batches with invalid molecules seamlessly.
• Parallel execution fixed for small sample sizes.
2️⃣ Under-the-hood improvements:
• Automated formatting, pre-commit hooks, badges, and README fixes.
1️⃣ Bug fixes:
• Safe-inference now handles batches with invalid molecules seamlessly.
• Parallel execution fixed for small sample sizes.
2️⃣ Under-the-hood improvements:
• Automated formatting, pre-commit hooks, badges, and README fixes.
Comments
• Better handling of invalid SMILES and more robust SafeInferenceWrapper.
• Python 3.13 support, a new linter/formatter, and even a PyPI-visible logo! 🎨
Huge shoutout to Anton Siomchen for the excellent work! 🙌
📢 How Are You Using Scikit-Mol?
We’d love to hear how it’s helping your projects! Are there features you’re missing or ideas you’d like to see implemented? Drop us a line and share your thoughts. #OpenSource #Cheminformatics