benedekrozemberczki

xla

A machine learning compiler for GPUs, CPUs, and ML accelerators

cugraph

cuGraph - RAPIDS Graph Analytics Library

gnn

TensorFlow GNN is a library to build Graph Neural Networks on the TensorFlow platform.

MMseqs2

MMseqs2: ultra fast and sensitive search and clustering suite

graphein

Protein Graph Library

DiffDock

Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking

practical_cheminformatics_tutorials

Practical Cheminformatics Tutorials

chemicalx

A PyTorch and TorchDrug based deep learning library for drug pair scoring. (KDD 2022)

EquiBind

EquiBind: geometric deep learning for fast predictions of the 3D structure in which a small molecule binds to a protein

DiGress

code for the paper "DiGress: Discrete Denoising diffusion for graph generation"

rexmex

A general purpose recommender metrics library for fair evaluation.

torsional-diffusion

Implementation of Torsional Diffusion for Molecular Conformer Generation (NeurIPS 2022)

PyDGN

A research library for automating experiments on Deep Graph Networks

TIGER

Python toolbox to evaluate graph vulnerability and robustness (CIKM 2021)

SubTab

The official implementation of the paper, "SubTab: Subsetting Features of Tabular Data for Self-Supervised Representation Learning"

awesome-shapley-value

Reading list for "The Shapley Value in Machine Learning" (JCAI 2022)

pytorch_geometric_signed_directed

PyTorch Geometric Signed Directed is a signed/directed graph neural network extension library for PyTorch Geometric. The paper is accepted by LoG 2023.

awesome-influence-maximization-papers

onto_merger

OntoMerger is an ontology alignment library for deduplicating knowledge graph nodes that represent the same domain.

awesome-drug-pair-scoring

Readings for "A Unified View of Relational Deep Learning for Drug Pair Scoring." (IJCAI 2022)

class-resolver

🔍 Lookup classes and instantiate them with style

MMDiff

Joint Sequence-Structure Generation of Nucleic Acid and Protein Complexes with SE(3)-Discrete Diffusion

skywalkR

code for Gogleva et al manuscript

geo2dr

Geo2DR: A Python and PyTorch library for learning distributed representations of graphs.

cookiecutter-snekpack

🍪 A cookiecutter package for an enlightened python package

pyrdle

Play Wordle in the CLI. Write an algorithm to play Wordle for you. Ruin all of the fun you've been having.

ExcessMortEUR

Többlethalálozási adatok európai összevetésben

gincco

Source code for GINCCo Paper

andrejlamov

kezdigabor.life

In loving memory of Gábor Kézdi's life and work