exalearn / hydronet

HydroNet: Benchmark Tasks for Preserving Long-range Interactions and Structural Motifs in Predictive and Generative Models for Molecular Data, at the 34th Conference on Neural Information Processing Systems (NuerIPS), Workshop on Machine Learning and the Physical Sciences [https://arxiv.org/abs/2012.00131]
Apache License 2.0
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Write a TF-Agent version of the Water Graph Environment #2

Closed WardLT closed 2 years ago

WardLT commented 3 years ago

It inherits from a different base class and has slightly different contracts for the step and reset functions compared to OpenAI gym.

WardLT commented 2 years ago

We've got one and are starting to use it as