Abstract: Computational notebooks are intended to prioritize the needs of scientists, but little is known about how scientists interact with notebooks, what requirements drive scientists' software ...

The following is the textbook used for the Scientific Computing Chemists course intended to teach chemists and chemistry students basic computer programming in Python and Jupyter Notebooks and ...

Abstract: Jupyter notebooks have become central in data science, integrating code, text and output in a flexible environment. With the rise of machine learning (ML), notebooks are increasingly used ...

I encountered an issue with torch where there was no pre-compiled package for my OS. Helped to fix running uv add torch==2.2.2 torchvision==0.17.2 torchaudio==2.2.2 ...