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ap-net

AP-Net: An atomic-pairwise neural network for smooth and transferable interaction potentials

autograph-automated-graph-neural-network

benchmarking-gnns

Repository for benchmarking graph neural networks

blog_code

A repo for holding example code

card-fraud-detection

cigin

AAAI 2020: Chemically Interpretable Graph Interaction Network for Prediction of Pharmacokinetic Properties of Drug-like Molecules

cmsc6950_git_assignment

cmsc6950_project

CMSC6950 project spring 2021

cmsc6950_project-spring2021

covid-net

Launched in March 2020 in response to the coronavirus disease 2019 (COVID-19) pandemic, COVID-Net is a global open source, open access initiative dedicated to accelerating advancement in machine learning to aid front-line healthcare workers and clinical institutions around the world fighting the continuing pandemic. Towards this goal, our global multi-disciplinary team of researchers, developers, and clinicians have made publicly available a suite of tailored deep neural network models for tackling different challenges ranging from screening to risk stratification to treatment planning for patients with the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). Furthermore, we have made available fully curated, open access benchmark datasets comprised of some of the largest, most diverse patient cohorts from around the world.

datasciencecoursera

datasharing

The Leek group guide to data sharing

deep-learning-papers-reading-roadmap

Deep Learning papers reading roadmap for anyone who are eager to learn this amazing tech!

deepchem

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

deepscreen

DEEPScreen: Virtual Screening with Deep Convolutional Neural Networks Using Compound Images

dtnn

Deep Tensor Neural Network

gcn

Implementation of Graph Convolutional Networks in TensorFlow

gnn-project

A Graph Neural Network project on HIV data

gtboa

Golden Tortoise Beetle Optimization Algorithm

khan

m1-machine-learning-test

Code for testing various M1 Chip benchmarks with TensorFlow.

mnistgnn

MNIST classification by using GCN

parallel_retriviumdataextraction

pkai

pKAI: a fast and interpretable deep learning approach to accurate electrostatics-driven pKa prediction

practicals-python

Practical Python Programming (course by @dabeaz)

probability_statistics

Jupyter Notebooks for Probability & Statistics (Persian Language)

pytorchgeometrictutorial

Pytorch Geometric Tutorials

remlp-net

This repository contains source code of ReMLP-NET for molecular energy prediction

retrievium_descriptor

This repository shows the source code of neural network potential using a matrix-based descriptor

spektral

Graph Neural Networks with Keras and Tensorflow 2.