XuanLin1991

DeepGS

DeepGS: Deep Representation Learning of Graphs and Sequences for Drug-Target Binding Affinity Prediction (ECAI 2020)

KGNN

Source Code for IJCAI'20 "KGNN: Knowledge Graph Neural Network for Drug-Drug Interaction Prediction"

GraphCPI

Effectively Identifying Compound-Protein Interaction using Graph Neural Representation

GNNPapers

Must-read papers on graph neural networks (GNN)

dgl

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

Smi2Vec

Smi2Vec transforms a molecule in the format of SMILES into vector

alphafold2

To eventually become a Pytorch implementation of Alphafold2, as details of the architecture get released

AutoBioNER

Distantly Supervised Biomedical Named Entity Recognition with Dictionary Expansion: https://ieeexplore.ieee.org/document/8983212

biobert

BioBERT: a pre-trained biomedical language representation model

DGL-GTC2019

Materials for DGL Instructor-led training at GTC 2019

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)

DRKG

A knowledge graph and a set of tools for drug repurposing

GCC

GCC: Graph Contrastive Coding for Graph Neural Network Pre-Training

GPT-GNN

Code for KDD'20 "Generative Pre-Training of Graph Neural Networks"

Graph-Neural-Networks-in-Life-Sciences

graphwave

llm-course

Course to get into Large Language Models (LLMs) with roadmaps and Colab notebooks.

mol2vec

Mol2vec - an unsupervised machine learning approach to learn vector representations of molecular substructures

MolDesigner-Public

MolDesigner: Interactive Design of Efficacious Drugs with Deep Learning (NeurIPS 2020 Demo)

MolT5

Associated Repository for "Translation between Molecules and Natural Language"

MolTrans

MolTrans: Molecular Interaction Transformer for Drug Target Interaction Prediction (Bioinformatics)

Multi-Grained-NER

Multi-Grained Named Entity Recognition (ACL 2019)

pyHGT

Code for "Heterogeneous Graph Transformer" (WWW'20), which is based on pytorch_geometric

pytorch-tutorial

PyTorch Tutorial for Deep Learning Researchers

pytorch_geometric

Geometric Deep Learning Extension Library for PyTorch

rebiber

A simple tool in Python to fix incorrect bib entries automatically, based on their official information from the full ACL anthology and DBLP (for ICLR and other conferences)!

seaborn-data

Data repository for seaborn examples

TDC

Therapeutics Data Commons: Machine Learning Datasets for Therapeutics

torchdrug

A powerful and flexible machine learning platform for drug discovery

XuanLin1991.github.io

Github Pages template for academic personal websites, forked from mmistakes/minimal-mistakes