Code for the paper: Benhenda, M. 2017. ChemGAN challenge for drug discovery: can AI reproduce natural chemical diversity? arXiv preprint arXiv:1708.08227.
GitHub of the DiversityNet project
Molecular De Novo design using Recurrent Neural Networks and Reinforcement Learning
Molecule Design using Monte Carlo Tree Search with Neural Rollout
A Fast, Extensible Progress Bar for Python and CLI
Python package built to ease deep learning on graph, on top of existing DL frameworks.
Attempting to make the Deep Learning Book easier to understand.
Machine learning, in numpy
Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models
Magenta: Music and Art Generation with Machine Intelligence
Code repo for optimizing distributions of molecules.
:zap:机器学习实战（Python3）：kNN、决策树、贝叶斯、逻辑回归、SVM、线性回归、树回归
Code for 10.1021/acscentsci.7b00572, now running on Keras 2.0 and Tensorflow
Implementation of Sequence Generative Adversarial Nets with Policy Gradient
Objective-Reinforced Generative Adversarial Networks (ORGAN) for Sequence Generation Models
Collection of generative models, e.g. GAN, VAE in Pytorch and Tensorflow.
a simple vae and cvae from keras
Objective-Reinforced Generative Adversarial Networks for Inverse-design Chemistry
