Tony L.

If there are any bugs, please let me know. Happy coding!

I wrote about it in a blog post here:
tlint101.github.io/practice-in-...
(It is basically the tutorial section, but it counts!)

There are also neat 2D images that can be generated if you prefer. And the data is generated as a .pml file, which can be drag and dropped right into PyMOL to generate images like these.

I wanted a tool to build simple pharmacophore models. It had to fit into my workflow and be able to generate fancy pictures. It includes a neat py3dmol jupyter widget. Perfect for those sharing Jupyter Notebooks!

GitHub - tlint101/pharmacophore-toolkit: Generate simple pharmacophore models from RDKit Generate simple pharmacophore models from RDKit. Contribute to tlint101/pharmacophore-toolkit development by creating an account on GitHub.

My first post and I would like to plug my project - pharmacophore-toolkit. I thought others in the #cheminformatics, #molecularmodeling, #drugdiscovery, or the #chemsky #compchem community would find it helpful. github.com/tlint101/pha...

Someone quick,etch this into stone!