Courses
- 2040FBDBIC - Chemo-informatics and computational drug design: The repository contains course materials for "Chemo-informatics and computational drug design" taught at the University of Antwerp, Belgium. It offers an in-depth view into the course, supported by the European Union Recovery and Resilience Facility (RRF).
- AI4Chemistry: open courses - training in ML and AI (standalone)
- BigChem:
- Cheminformatics OLCC:
[](https://chem.libretexts.org/Courses/Intercollegiate_Courses/Cheminformatics_OLCC_(2019) - Cheminformatics-and-Drug-Discovery: This GitHub repository includes notebooks guiding through data preparation and model training to predict chemical properties of compounds represented as SMILES. It also explores chemical space visualization using PCA and t-SNE with the ChEMBL dataset.
- Computer methods: training, python, molecular modeling (standalone)
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CS231n: Convolutional Neural Networks for Visual Recognition:
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Drug Discovery: This page provides an introduction to drug discovery, including a brief history of medicine development, in-silico technologies, drug discovery processes, rational drug design strategies, and the future aspects of drug discovery.
- Learncheminformatics.com:
- Machine Learning: Deep learning for molecules (standalone)
- Machine Learning: Backpropagation (standalone)
- Machine Learning in Drug Design - 2023: This repository contains course materials for "Machine Learning in Drug Design" taught at Jagiellonian University in 2023, hosted by the GMUM machine learning research group. It includes lab materials, lecture slides, and notes covering various topics related to machine learning applications in drug design
- Machine Learning in Drug Design - UMWPL2021: Similar to the 2023 course, this repository hosts materials for the course "Machine Learning in Drug Design" taught at Jagiellonian University, covering various topics with labs and providing environment setup instructions for Python.
- ML: machine learning (standalone)
- Molecular modeling course:
- Practical Chemoinformatics: tutorials in chemoinformatics (standalone)
- Practical Deep Learning: open courses - training in ML and AI (standalone)
- Python for chemoinformatics:
- Simulation in Chemistry and Biochemistry:
- teachmecadd: repository intended for tutorials related to computational drug discovery.
- TeachOpenCADD: a teaching platform offering tutorials on central topics in cheminformatics and structural bioinformatics.
