GFlowNet library

Code for GFlowNet-EM, a novel algorithm for fitting latent variable models with compositional latents and an intractable true posterior.

Benchmark datasets, data loaders, and evaluators for graph machine learning

EPFL Course - Optimization for Machine Learning - CS-439

Trainable PyTorch reproduction of AlphaFold 2

Source code for GNN-LSPE (Graph Neural Networks with Learnable Structural and Positional Representations)

Making self-supervised learning work on molecules by using their 3D geometry to pre-train GNNs. Implemented in DGL and Pytorch Geometric.

Continuous Diffusion Graph Neural Network

Official implementation for the paper: Permutation Invariant Graph Generation via Score-Based Generative Modeling

Combinatorial Multigrid Solver for SDD Matrices

An implementation of the DeepMind's AlphaFold based on PyTorch for research

Spectral Modification of Graphs

Framework for evaluating Graph Neural Network models on semi-supervised node classification task