Fix Python API, CI, and remove "example" files

openforcefield / protein-ligand-benchmark

Protein-Ligand Benchmark Dataset for Free Energy Calculations

MIT License

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Fix Python API, CI, and remove "example" files #67

Open IAlibay opened 2 years ago

IAlibay commented 2 years ago

Several issues all linked together here. Tests are currently failing due to issues with the API, and CI is running on some old "example" files which need to be removed.