Computational Chemistry

Beyond Atoms: Enhancing Molecular Pretrained Representations with 3D Space Modeling

Lu et al. introduce SpaceFormer, a Transformer that models entire 3D molecular space—not just atoms—for superior …...

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

Modern PyTorch Techniques for VAEs: A Tutorial

VAE tutorial using modern PyTorch: torch.distributions, optimization techniques, numerical stability, and implementation …