ashipiling

constrained-graph-variational-autoencoder

Sample code for Constrained Graph Variational Autoencoders

CVAE

github for "Molecular generative model based on conditional variational autoencoder for de novo molecular design"

diffpool

dimensionality_reduction_alo_codes

特征提取/数据降维:PCA、LDA、MDS、LLE、TSNE等降维算法的python实现

gcn

Implementation of Graph Convolutional Networks in TensorFlow

iclr19-graph2graph

Learning Multimodal Graph-to-Graph Translation for Molecular Optimization (ICLR 2019)

molstar

A comprehensive macromolecular library

pdbe-molstar

Molstar PDBe implementation

Lingo3DMol

ashipiling/constrained-graph-variational-autoencoder

Sample code for Constrained Graph Variational Autoencoders

ashipiling/CVAE

github for "Molecular generative model based on conditional variational autoencoder for de novo molecular design"

ashipiling/diffpool

ashipiling/dimensionality_reduction_alo_codes

特征提取/数据降维:PCA、LDA、MDS、LLE、TSNE等降维算法的python实现

ashipiling/gcn

Implementation of Graph Convolutional Networks in TensorFlow

ashipiling/iclr19-graph2graph

Learning Multimodal Graph-to-Graph Translation for Molecular Optimization (ICLR 2019)