Stars
Implement a ChatGPT-like LLM in PyTorch from scratch, step by step
NUS CS5242 Neural Networks and Deep Learning, Xavier Bresson, 2025
Official implementation of MatterGen -- a generative model for inorganic materials design across the periodic table that can be fine-tuned to steer the generation towards a wide range of property c…
A generative world for general-purpose robotics & embodied AI learning.
A collection of Nerual Network Models for chemistry
An electronic structure package based on either plane wave basis or numerical atomic orbitals.
A mathematical look on density-functional theory and DFTK
Geometric GNN Dojo provides unified implementations and experiments to explore the design space of Geometric Graph Neural Networks (ICML 2023)
[ICML 2023] Learning Neural Constitutive Laws from Motion Observations for Generalizable PDE Dynamics
Deep learning quantum Monte Carlo for electrons in real space
Space Group Informed Transformer for Crystalline Materials Generation
EDM: E(3) Equivariant Diffusion Model for Molecule Generation in 3D
Geometric Latent Diffusion Models for 3D Molecule Generation
Newton and Quasi-Newton optimization with PyTorch
[ICLR 2021 top 3%] Is Attention Better Than Matrix Decomposition?