borao

borao's Stars

• google-research/google-research

  Google Research

  Language:Jupyter Notebook33.3k7491.2k7.8k

• dmlc/dgl

  Python package built to ease deep learning on graph, on top of existing DL frameworks.

  Language:Python13.2k1692.7k3k

• google-deepmind/deepmind-research

  This repository contains implementations and illustrative code to accompany DeepMind publications

  Language:Jupyter Notebook12.9k3293122.5k

• facebookresearch/pytorch3d

  PyTorch3D is FAIR's library of reusable components for deep learning with 3D data

  Language:Python8.5k1481.5k1.3k

• divelab/DIG

  A library for graph deep learning research

  Language:Python1.8k29204278

• movingpandas/movingpandas

  Movement trajectory classes and functions built on top of GeoPandas

  Language:Python1.2k40234189

• DeepGraphLearning/RecommenderSystems

  Language:Python1.1k3322276

• mims-harvard/TDC

  Therapeutics Commons: Artificial Intelligence Foundation for Therapeutic Science

  Language:Jupyter Notebook95327113169

• molecularsets/moses

  Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models

  Language:Python7943754235

• Open-Catalyst-Project/ocp

  Open Catalyst Project's library of machine learning methods for catalysis

  Language:Python63123167218

• snap-stanford/deepsnap

  Python library assists deep learning on graphs

  Language:Python538604857

• wengong-jin/icml18-jtnn

  Junction Tree Variational Autoencoder for Molecular Graph Generation (ICML 2018)

  Language:Python5001960190

• microsoft/ptgnn

  A PyTorch Graph Neural Network Library

  Language:Python37412640

• drorlab/atom3d

  ATOM3D: tasks on molecules in three dimensions

  Language:Python291166034

• gasteigerjo/dimenet

  DimeNet and DimeNet++ models, as proposed in "Directional Message Passing for Molecular Graphs" (ICLR 2020) and "Fast and Uncertainty-Aware Directional Message Passing for Non-Equilibrium Molecules" (NeurIPS-W 2020)

  Language:Python27443158

• YingtongDou/CARE-GNN

  Code for CIKM 2020 paper Enhancing Graph Neural Network-based Fraud Detectors against Camouflaged Fraudsters

  Language:Python23651451

• learningmatter-mit/geom

  GEOM: Energy-annotated molecular conformations

  Language:Jupyter Notebook184101224

• pcko1/Deep-Drug-Coder

  A tensorflow.keras generative neural network for de novo drug design, first-authored in Nature Machine Intelligence while working at AstraZeneca.

  Language:Python1834054

• facebookresearch/Clinical-Trial-Parser

  Library for converting clinical trial eligibility criteria to a machine-readable format.

  Language:Go160202355

• divelab/MoleculeX

  Language:Python15951126

• snap-stanford/covid-mobility

  Language:Jupyter Notebook14749550

• Oceanusity/awesome-gnns-on-large-scale-graphs

  1355112

• brianhie/viral-mutation

  Language modeling of viral evolution

  Language:Python1293543

• calvin-zcx/moflow

  MoFlow: an invertible flow model for generating molecular graphs

  Language:Python1215539

• ermongroup/GraphScoreMatching

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

  Language:Python10011419

• Open-Catalyst-Project/Open-Catalyst-Dataset

  Workflow for creating and analyzing the Open Catalyst Dataset

  Language:Python86111533

• phlippe/CategoricalNF

  Official repository for "Categorical Normalizing Flows via Continuous Transformations"

  Language:Python554311

• PanpanZheng/OCAN

  Language:Python524422

• rdkit/conda-rdkit

  Conda build recipe for the rdkit

  Language:C49124030

• LLNL/havoqgt

  Language:C++2515411