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1. active-learning-microscopy active-learning-microscopy Public

   Gaussian-process active learning for autonomous microscopy, benchmarked against space-filling scans.

   Jupyter Notebook

2. graph-neural-networks-for-molecules graph-neural-networks-for-molecules Public

   From-scratch message passing neural networks (MPNN, GCN) in PyTorch for molecular property prediction on ESOL.

   Python

3. neural-network-from-scratch neural-network-from-scratch Public

   Feedforward neural network in pure NumPy: backpropagation, SGD/Momentum/Adam, and numerical gradient checking.

   Jupyter Notebook

4. stem-atom-finder stem-atom-finder Public

   Atomic column detection in simulated HAADF-STEM images, comparing classical detectors against a compact U-Net.

   Jupyter Notebook

5. diffraction-structure-classifier diffraction-structure-classifier Public

   Crystal-structure classification from simulated electron diffraction: a tuned classical baseline vs 1D and 2D CNNs.

   Jupyter Notebook

6. molecular-generative-models molecular-generative-models Public

   From-scratch SMILES autoencoder and variational autoencoder in PyTorch, scored on validity, uniqueness, and novelty.

   Jupyter Notebook