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Puck Elisabeth van Gerwen

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https://people.epfl.ch/puck.vangerwen

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Puck Elisabeth van Gerwen

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Benchmarking machine-readable vectors of chemical reactions on computed activation barriers

Genetic Algorithms for the Discovery of Homogeneous Catalysts

Metric learning for kernel ridge regression: assessment of molecular similarity

Genetic Algorithms for the Discovery of Homogeneous Catalysts

Benchmarking machine-readable vectors of chemical reactions on computed activation barriers

Metric learning for kernel ridge regression: assessment of molecular similarity