FlowER. Flow Matching for Electron Redistribution
150FastJTNNpy3. AI for discovering 100% valid drug like molecules, a combination of VAE-JTNN and bayesian optimization, an optimized Python 3 Version of Junction Tree Variational Autoencoder for Molecular Graph Generation (ICML 2018)
1icml18-jtnn. Junction Tree Variational Autoencoder for Molecular Graph Generation (ICML 2018)
1heartFailurePrediction. Jupyter Notebook
1