TeachOpenCADD is a teaching platform for computer-aided drug design (CADD) using open source packages and data. Topics on TeachOpenCADD are demonstrated in form of so called talktorials (a mixture of theory and coding, ready to be presented also in form of a presentation) using Jupyter Notebooks.
Some examples include
- How to programmatically acquire data from CHEMBL or PDB
- How to filter a dataset by unwanted substructures or ADME criteria
- How to structurally compare target binding sites
You can check the whole project at:
- GitHub repository: https://github.com/volkamerlab/TeachOpenCADD
- More information: https://volkamerlab.org/projects/teachopencadd/
You are welcome to contribute to the project either by requesting new topics, proposing ideas or getting involved in the development! Please, use the form below to let us know!