awesome-learning-digital-chemistry

You are welcome to contribute to this project! See CONTRIBUTING.md for details.

Table of content:

• Foundational Knowledge
• Core Topics in Digital Chemistry
• Courses
• Tutorials
• Blogs and Articles
• Communities and Resources
• Related Awesome Lists

Foundational Knowledge

Getting Started: Computer Science & Machine Learning Basics

• Neural Networks: Zero to Hero – A Tutorial on the basics of Neural Networks and NLP
• The Turing Way – Resources on Data Managment/Reproducible Science

Programming for Chemists

• Introduction to version control for scientists
• Scientific Computing for Chemists
• MolSSI Education: Python Scripting CMS

Core Topics in Digital Chemistry

Cheminformatics

• Sulstice Cheminformatics Teaching Material

Machine Learning and Materials Informatics

• Sp8rks Materials Informatics
• ML for Materials

Self-Driving Labs

• Self Driving Labs: A Demo

Courses

• AI4Chemistry course - The Artificial Intelligence (AI) for Chemistry taught in Spring 2023 at EPFL (CH-457). It is a course with a lot of hands-on exercises. Experience in Python programming and machine learning (ML) will help you to get up to speed quickly.
• Practical Programming – This course offers a thorough introduction to programming for chemists and chemical engineers using Python, covering fundamental concepts and tools relevant to chemical tasks, from Git to the RDKit. The exercises are freely accessible.

Tutorials

• VolkamerLab Talktorials on CADD – "Talktorials" (portmanteau for talk and tutorial) address many topics central to computer-aided drug design. Topics range from cheminformatics, online queries to structural biology.
• Practical Cheminformatic Tutorials by Patrick Walters – Jupyter notebooks and Google colab notebooks for learning Cheminformatics. From fundamentals of concepts in cheminformatics over clustering, SAR analysis, machine learning and active learning: This course covers everything!
• Transformers for Chemistry and Materials Science – A collection of the LlamaLab's tutorials on transformers in chemistry and materials science, adapted from blogposts from Kevin M. Jablonka's Blog.

Blogs and Articles

• Byte Sized Chemistry – A blog about digital chemistry and student life
• The Valence Kjell – A blog about computational chemistry, cheminformatics and machine learning

Do you want a Digital Chemistry blog to be featured? Let us know by submitting a pull request!

Communities and Resources

• OpenBioML - OpenBioML is a decentralized, collaborative research community founded on the belief that open source machine learning and open science can accelerate biotechnology.

  Related Awesome Lists

• Awesome Chemical Engineering Education
• Awesome Scientific Language Models
• Awesome Chemistry Datasets
• Awesome Python Chemistry Tools