Save your clicks with a few lines of Python code.
If you could take an apple and break it into smaller and smaller parts, you would find molecules, then atoms, followed by subatomic particles like protons and the quarks and gluons that make them up.
PyCaret 4.0 is a ground-up architectural revamp. The 3.x line is frozen on PyPI as pycaret 3.4.0 — no further commits. Track progress in docs/revamp/STATUS.md and ...
A set of Jupyter notebooks for learning Cheminformatics. The links below will open the tutorials on Google Colab. This way you can run the notebooks without having to install software on your computer ...