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pygcn

Graph Convolutional Networks in PyTorch

pytorch-gan

PyTorch implementations of Generative Adversarial Networks.

pytorch-tutorial

PyTorch Tutorial for Deep Learning Researchers

qbmg

Quasi-Biogenic Molecule Generator with Deep Recurrent Network

rdkit

The official sources for the RDKit library

reinvent-gdb13

A Recurrent Neural Network implementation that uses SMILES strings to generate molecules from GDB-13

retrobiocat

self-corrected-retrosynthetic-reaction-predictor

A Robust Self-Corrected Retrosynthetic Reaction Predictor using Neural Transformer Models

seqgan

Implementation of Sequence Generative Adversarial Nets with Policy Gradient

seqgan-pytorch

A implementation of SeqGAN in PyTorch, following the implementation in tensorflow.

smiles-enumeration

SMILES enumeration for QSAR modelling using LSTM recurrent neural networks

tankbind

Trigonometry-Aware Neural NetworKs for Drug-Protein Binding Structure Prediction-Galixir Tenchnologies

tensorflow-zh

谷歌全新开源人工智能系统TensorFlow官方文档中文版

the-databases-for-drug-discovery

The Databases for Drug Discovery (DDD)