maryamastero

maryamastero's Stars

• pyg-team/pytorch_geometric

  Graph Neural Network Library for PyTorch

  Language:Python21.3k2523.5k3.7k

• google-deepmind/deepmind-research

  This repository contains implementations and illustrative code to accompany DeepMind publications

  Language:Jupyter Notebook13.2k3243232.6k

• deepchem/deepchem

  Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology

  Language:Python5.5k1431.7k1.7k

• snap-stanford/ogb

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

  Language:Python1.9k41298400

• weihua916/powerful-gnns

  How Powerful are Graph Neural Networks?

  Language:Python1.2k2623223

• benedekrozemberczki/SimGNN

  A PyTorch implementation of "SimGNN: A Neural Network Approach to Fast Graph Similarity Computation" (WSDM 2019).

  Language:Python7561147147

• dmarx/anthology-of-modern-ml

  Collection of important articles to be treated as a textbook

  Language:Jupyter Notebook59917430

• lukecavabarrett/pna

  Implementation of Principal Neighbourhood Aggregation for Graph Neural Networks in PyTorch, DGL and PyTorch Geometric

  Language:Python34051355

• rxn4chemistry/rxnmapper

  RXNMapper: Unsupervised attention-guided atom-mapping. Code complementing our Science Advances publication on "Extraction of organic chemistry grammar from unsupervised learning of chemical reactions" (https://advances.sciencemag.org/content/7/15/eabe4166).

  Language:Python289113168

• Lin-Yijie/Graph-Matching-Networks

  PyTorch implementation of Graph Matching Networks, e.g., Graph Matching with Bi-level Noisy Correspondence (COMMON, ICCV 2023), Graph Matching Networks for Learning the Similarity of Graph Structured Objects (GMN, ICML 2019).

  Language:Python28531155

• rusty1s/deep-graph-matching-consensus

  Implementation of "Deep Graph Matching Consensus" in PyTorch

  Language:Python259102247

• deepfindr/gnn-project

  A Graph Neural Network project on HIV data

  Language:Python25721489

• chrsmrrs/k-gnn

  Source code for our AAAI paper "Weisfeiler and Leman Go Neural: Higher-order Graph Neural Networks".

  Language:C++18342245

• Graph-COM/GSAT

  [ICML 2022] Graph Stochastic Attention (GSAT) for interpretable and generalizable graph learning.

  Language:Jupyter Notebook15941221

• connorcoley/retrosim

  Language:Jupyter Notebook839514

• knu-lcbc/RetroTRAE

  Retrosynthetic prediction with Atom Environments

  Language:Python37398

• chython/chython

  Library for processing molecules and reactions in python way

  Language:Python3411610

• linafaik08/graph_neural_networks

  Language:Jupyter Notebook311111

• nghiahhnguyen/Graph-Matching-Networks-PyTorch

  This is a **reimplementation** of the ICLR 2019 paper "Graph Matching Networks for Learning the Similarity of Graph Structured Objects" (Li et al.) in PyTorch.

  Language:Python22122

• rxn4chemistry/rxn-chemutils

  Chemistry-related Python utilities used in the RXN universe

  Language:Python21532

• hasic-haris/one_step_retrosynth_ai

  This project introduces a novel single-step retrosynthesis approach based on chemical compound substructures and fingerprint descriptors.

  Language:Python19314

• jiyangbai/TaGSim

  Language:Python9122

• CMACH508/IA-SSGM

  Language:Python5120

• connorcoley/nips17-rexgen

  Predicting Organic Reaction Outcomes with Weisfeiler-Lehman Network

  Language:Python3301

• shichence/GLN

  Implementation of Retrosynthesis Prediction with Conditional Graph Logic Network

  Language:Python1100