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EVALPRO

EvalPro is a Python library for evaluating the performance of machine learning protein models. It is designed to be easy to use and add metrics are implemented based on HuggingFace's evaluate library.

Design Principles

Based on Hugging Face's open-source evaluate and datasets packages, we build protein AI algorithm evaluation metrics such as tmscore.py.

New metrics are created by inheriting the evaluate.EvaluationModule class and implementing the _info and _compute methods.

The _info method returns an evaluate.MetricInfo object that describes various information about the new metric, with a focus on field type descriptions for predicted and reference values.

The _compute method is a batch processing function for input predictions and references, which is called by the public compute method.

Note that type specifications apply to individual values, while _compute parameters are batch lists.

Dependency Issues

  • Pyarrow Compatibility

The datasets package uses Apache Arrow (pyarrow) for data storage. Current datasets versions have limited compatibility with newer pyarrow releases, requiring careful version control.

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Evaluation tool collections for protein AI

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