SeongokRyu

Graph-neural-networks

CH485---Artificial-Intelligence-and-Chemistry

CH485 - Artificial Intelligence and Chemistry

augmented-GCN

Bayesian-deep-learning

Notes and codes of the topic "Bayesian deep learning"

uq_molecule

Uncertainty quantification of molecular property prediction using Bayesian deep learning

mutual_information_and_self-supervised_learning

Notes and tutorials on "Mutual information and self-supervised learning"

multiple_instance_learning

Multiple instance learning for weakly supervised learning

ACE-Team-DLstudy

Study materials about "Deep Learning for Molecular Applications".

my-study-materials

Semi-supervised-learning

Notes and codes of the topic "Semi-supervised learning"

LAIDD_GNN

gnn_solubility

awesome-single-cell

List of software packages for single-cell data analysis, including RNA-seq, ATAC-seq, etc.

mol_reliability

"A Comprehensive study on the reliability of neural prediction models for virtual screening"

hgraph2graph

Hierarchical Graph-to-Graph Translation for Molecules

mol_reliable_gnn

Source codes for 'A baseline for reliable molecular prediction models via Bayesian learning'

seongokryu.github.io

alphafold_pytorch

An implementation of the DeepMind's AlphaFold based on PyTorch for research

AttentionDeepMIL

Implementation of Attention-based Deep Multiple Instance Learning in PyTorch

benchmarking-gnns

Repository for benchmarking graph neural networks

deep_Mahalanobis_detector

Code for the paper "A Simple Unified Framework for Detecting Out-of-Distribution Samples and Adversarial Attacks".

deeplearning-biology

A list of deep learning implementations in biology

ge-vae

Graph Embedding VAE (NeurIPS 2019 Workshop on Graph Representations).

google-research

Google AI Research

mixmatch

models

Models and examples built with TensorFlow

MONN

MONN: a Multi-Objective Neural Network for Predicting Pairwise Non-Covalent Interactions and Binding Affinities between Compounds and Proteins

Pymol-script-repo

Collected scripts for Pymol

rl_graph_generation

understandingbdl