Chemistry Resources
Courses, teaching materials, and blogs for learning AI applications in chemistry.
Courses
AI4Chemistry Course (EPFL)
github.com/schwallergroup/ai4chem_course
Institution: EPFL (CH-457) | Level: Graduate
A hands-on course covering AI applications in chemistry with practical exercises. Assumes prior Python and ML experience.
Topics covered:
- Molecular representations
- Graph neural networks for molecules
- Generative models for chemistry
- Reaction prediction
Practical Programming in Chemistry
schwallergroup.github.io/practical-programming-in-chemistry
Institution: EPFL (Schwaller Group) | Level: Beginner-Intermediate
A thorough introduction to programming for chemists and chemical engineers using Python.
Topics covered:
- Python fundamentals
- Git version control
- RDKit for cheminformatics
- Data analysis workflows
Teaching Materials
Cheminformatics Teaching Material
github.com/Sulstice/Cheminformatics-Teaching-Material
Comprehensive teaching materials covering molecular representations, fingerprints, and computational methods.
Blogs
| Blog | Author | Focus |
|---|---|---|
| The Valence Kjell | - | Computational chemistry, ML |
| Practical Cheminformatics | Pat Walters | Drug discovery, generative AI |
| Byte Sized Chemistry | - | Data viz, student perspective |
| Is Life Worth Living? | iwatobipen | Cheminformatics, RDKit |
Newsletters
- Cheminformatics Newsletter — Weekly roundup of papers and tools
Awesome Lists
| List | Focus |
|---|---|
| awesome-cheminformatics | Tools & libraries |
| awesome-python-chemistry | Python tools |
| awesome-chemistry-datasets | ML datasets |
| awesome-ai4chem | AI for chemistry papers |
Conferences
| Conference | Focus | Timing |
|---|---|---|
| ACS National | All chemistry | Spring/Fall |
| RDKit UGM | Cheminformatics | October |
| COMP Division (ACS) | Computational chemistry | Varies |