alip67's repositories
3D-graph-ssl
Making self-supervised learning work on molecules by using their 3D geometry to pre-train GNNs. Implemented in DGL and Pytorch Geometric.
alphafold_pytorch
An implementation of the DeepMind's AlphaFold based on PyTorch for research
cmg-solver
Combinatorial Multigrid Solver for SDD Matrices
GFlowNet-EM
Code for GFlowNet-EM, a novel algorithm for fitting latent variable models with compositional latents and an intractable true posterior.
gnn-benchmark
Framework for evaluating Graph Neural Network models on semi-supervised node classification task
gnn-lspe
Source code for GNN-LSPE (Graph Neural Networks with Learnable Structural and Positional Representations)
GraphScoreMatching
Official implementation for the paper: Permutation Invariant Graph Generation via Score-Based Generative Modeling
graph-neural-pde
Continuous Diffusion Graph Neural Network
ogb
Benchmark datasets, data loaders, and evaluators for graph machine learning
openfold
Trainable PyTorch reproduction of AlphaFold 2
OptML_course
EPFL Course - Optimization for Machine Learning - CS-439
spectral-modification
Spectral Modification of Graphs
torchgfn
GFlowNet library