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A framework for representing polymers as ensembles rather than single objects.
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Under Construction
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Try PolySet
PyPI package:
pip install polysetlib
GitHub repository:
https://github.com/kFERJI/PolySet
Dataset (Zenodo):
A curated dataset of PolySet ensembles for testing and benchmarking is available here.
ferji, . khalid . (2025). PolySet: Statistical Ensemble Polymer Embeddings Dataset for Machine Learning [Data set]. Zenodo. https://doi.org/10.5281/zenodo.17861022
pip install polysetlib
GitHub repository:
https://github.com/kFERJI/PolySet
Dataset (Zenodo):
A curated dataset of PolySet ensembles for testing and benchmarking is available here.
ferji, . khalid . (2025). PolySet: Statistical Ensemble Polymer Embeddings Dataset for Machine Learning [Data set]. Zenodo. https://doi.org/10.5281/zenodo.17861022