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akuroko's Projects

dgl icon dgl

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

drug_design_models icon drug_design_models

This project is a reimplementation of the models introduced in the following papers: "Multiobjective de novo drug design with recurrent neural networks and nondominated sorting", "REINVENT 2.0: An AI Tool for De Novo Drug Design", "Hierarchical generation of molecular graphs using structural motifs", "Mol-CycleGAN: a generative model for molecular optimization", "Multi-objective de novo drug design with conditional graph generative model" and "Graph convolutional policy network for goal-directed molecular graph generation".

graph2vec_tf icon graph2vec_tf

This repository contains the "tensorflow" implementation of our paper "graph2vec: Learning distributed representations of graphs".

pygcn icon pygcn

Graph Convolutional Networks in PyTorch

pytorch-maddpg icon pytorch-maddpg

A pytorch implementation of MADDPG (multi-agent deep deterministic policy gradient)

rgtn-nie icon rgtn-nie

Implementation for the paper: Representation Learning on Knowledge Graphs for Node Importance Estimation

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