Foundational Tutorials

Hands-on notebooks for learning programming and ML fundamentals.

Machine Learning

Tutorial	Topics	Format
Neural Networks: Zero to Hero	NN fundamentals, backprop, transformers	Video + Jupyter
DeepChem Tutorials	GNNs, molecular property prediction	Jupyter

Python & Scientific Computing

Tutorial	Topics	Format
Scientific Computing for Chemists	Python basics, NumPy, Pandas	Jupyter
MolSSI Python Scripting	Python for molecular sciences	Jupyter

Running Tutorials

Google Colab: Most tutorials can be run directly in Google Colab without local setup. Look for the “Open in Colab” badge.

Local Setup


# Create a conda environment
conda create -n ai4science python=3.10
conda activate ai4science
 
# Install common dependencies
pip install jupyter pandas numpy scikit-learn matplotlib
 
# For deep learning
pip install torch