Generative Modeling
Variational Autoencoder architecture diagram showing encoder, latent space, and decoder

Modern PyTorch Techniques for VAEs: A Hands-On Tutorial

A VAE tutorial using modern PyTorch: torch.distributions, BCEWithLogits, KL Warmup, and a hands-on guide to tuning the …

Computational Chemistry
3D ball-and-stick model of butane molecule showing linear carbon chain structure

Can You Hear the Shape of a Molecule?

Explore molecular shape recognition using Coulomb matrix eigenvalues. Analysis of alkane isomers from data generation to …