Stars
Curvlearn, a Tensorflow based non-Euclidean deep learning framework.
Official PyTorch Implementation of "Scalable Diffusion Models with Transformers"
An E(3) equivariant Graph Neural Network for predicting electronic Hamiltonian matrix
Technical software application for creating tight-binding Hamiltonian from DFT results
Reinforcement learning (RL) implementation of imperfect information game Mahjong using markov decision processes to predict future game states
Official implementation for 'Sparse denoising diffusion for large graph generation'
Paper list about hyperbolic embedding, hyperbolic models,hyperbolic applications
GraphRNN: Generating Realistic Graphs with Deep Auto-regressive Models
Generative modeling of molecular dynamics trajectories
This is the homepage of a new book entitled "Mathematical Foundations of Reinforcement Learning."
Official PyTorch Implementation of "SiT: Exploring Flow and Diffusion-based Generative Models with Scalable Interpolant Transformers"
Implementation of Denoising Diffusion Probabilistic Model in Pytorch
code for "Riemannian Flow Matching on General Geometries".
A PyTorch library for implementing flow matching algorithms, featuring continuous and discrete flow matching implementations. It includes practical examples for both text and image modalities.
ProtMamba: a homology-aware but alignment-free protein state space model
Riemannian Adaptive Optimization Methods with pytorch optim
nablaDFT: Large-Scale Conformational Energy and Hamiltonian Prediction benchmark and dataset
Artificial Intelligence Research for Science (AIRS)
Deep neural networks for density functional theory Hamiltonian.
Code for “FlowMM Generating Materials with Riemannian Flow Matching” and "FlowLLM: Flow Matching for Material Generation with Large Language Models as Base Distributions"