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choderalab / espaloma

Extensible Surrogate Potential of Ab initio Learned and Optimized by Message-passing Algorithm 🍹https://arxiv.org/abs/2010.01196
https://docs.espaloma.org/en/latest/
MIT License
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Improve testing coverage #174

Open ijpulidos opened 1 year ago

ijpulidos commented 1 year ago

We have noticed that some important parts of the code are not covered by tests. We should aim to improve the testing coverage as we progress towards a more stable code base.

For example in https://github.com/choderalab/espaloma/pull/173