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1. chemopt chemopt Public

   Forked from lightingghost/chemopt

   Optimizing Chemical Reactions with Deep Reinforcement Learning

   Python

2. blackbox-optimization-using-rnns blackbox-optimization-using-rnns Public

   Forked from p16i/blackbox-optimization-using-rnns

   This project is a part of "Neural Information Processing Project" taught at TU Berlin.

   Jupyter Notebook

3. uncertainty_benchmarking uncertainty_benchmarking Public

   Forked from ulissigroup/uncertainty_benchmarking

   Various code/notebooks to benchmark different ways we could estimate uncertainty in ML predictions.

   Jupyter Notebook

4. cgcnn cgcnn Public

   Forked from txie-93/cgcnn

   Crystal graph convolutional neural networks for predicting material properties.

   Python

5. CrySPY_utility CrySPY_utility Public

   Forked from Tomoki-YAMASHITA/CrySPY_utility

   Jupyter Notebook

6. dash-flask-sample-app dash-flask-sample-app Public

   Forked from betarabbit/dash-flask-sample-app

   Sample app to show a way to integrate Dash into Flask

   Python