pyli0628

APPNP

A PyTorch implementation of "Predict then Propagate: Graph Neural Networks meet Personalized PageRank" (ICLR 2019).

AttentiveFP_geometric

BERT-and-Graph-BERT-for-molecular-embedding

datamining-dataset

DeepPurpose

A Drug-Target Interaction Prediction Toolkit with State-of-the-Art Deep Learning Methods and its Applications in Drug Repurposing and Virtual Screening

Dynamic-GNN

geoopt

Riemannian Adaptive Optimization Methods with pytorch optim

Machine-Learning-Data-Structure

MPG

seq2seq-pytorch-for-retrosynthesis

pyli0628/MPG

pyli0628/seq2seq-pytorch-for-retrosynthesis

pyli0628/BERT-and-Graph-BERT-for-molecular-embedding

pyli0628/Dynamic-GNN

pyli0628/APPNP

A PyTorch implementation of "Predict then Propagate: Graph Neural Networks meet Personalized PageRank" (ICLR 2019).

pyli0628/AttentiveFP_geometric

pyli0628/datamining-dataset

pyli0628/DeepPurpose

A Drug-Target Interaction Prediction Toolkit with State-of-the-Art Deep Learning Methods and its Applications in Drug Repurposing and Virtual Screening

pyli0628/geoopt

Riemannian Adaptive Optimization Methods with pytorch optim

pyli0628/Machine-Learning-Data-Structure

pyli0628/protein-interaction-network

Computes a molecular graph for protein structures.

pyli0628/ProteinGCN

ProteinGCN: Protein model quality assessment using Graph Convolutional Networks

pyli0628/releasing-research-code

Tips for releasing research code in Machine Learning (with official NeurIPS 2020 recommendations)

pyli0628/torch-warmup-lr

Warmup learning rate wrapper for Pytorch Scheduler

pyli0628/translation_transformer