Papers: 10.1186/s13321-019-0381-4
https://doi.org/10.1186/s13321-019-0381-4
Machine learning models for hydrogen bond donor and acceptor strengths using large and diverse training data generated by first-principles interaction free energies
Cited by: 16
Author(s): Christoph Bauer, Gisbert Schneider, Andreas H. Göller
Published: almost 6 years ago
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pypi: scikit-learn
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