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SAC-for-H-Bond-Learning

Code currently adopted from https://github.com/p-christ/Deep-Reinforcement-Learning-Algorithms-with-PyTorch

Paper: https://arxiv.org/pdf/2010.02193.pdf

Current SAC Discrete Test on Cart Pole Environment

alt text

Running Octree

To run the octree, go to /Octree/ and run make octree. Then run python Octree.py to run the current version of the Octree

TODOs

Current the entire Octree is wrapped but the individual functions are not. Specifically, the process of removing atoms and inserting atoms is not defined in the cython code.