Articles by Jasper De Landsheere | Synthical

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Articles by Jasper De Landsheere | Synthical

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Jasper De Landsheere

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7

ChemTorch: A Deep Learning Framework for Benchmarking and Developing Chemical Reaction Property Prediction Models

3 days ago by Jasper Landsheere and others at

Theoretical and Computational Chemistry, Machine Learning

Graph-based prediction of reaction barrier heights with on-the-fly prediction of transition states

28 August 2025 by Johannes Karwounopoulos and others at

Technische Universität Wien

Theoretical and Computational Chemistry, Machine Learning

Graph-based prediction of reaction barrier heights with on-the-fly prediction of transition states

1

22 July 2025 by Johannes Karwounopoulos and others at

Technische Universität Wien

Theoretical and Computational Chemistry, Machine Learning

ChemTorch: A Deep Learning Framework for Benchmarking and Developing Chemical Reaction Property Prediction Models

16 July 2025 by Jasper Landsheere and others at

Technische Universität Wien

Theoretical and Computational Chemistry, Machine Learning

Graph-based prediction of reaction barrier heights with on-the-fly prediction of transition states

3 June 2025 by Johannes Karwounopoulos and others at

Theoretical and Computational Chemistry, Machine Learning

Graph-based prediction of reaction barrier heights with on-the-fly prediction of transition states

29 May 2025 by Johannes Karwounopoulos and others at

Technische Universität Wien

Theoretical and Computational Chemistry, Machine Learning

LoGAN: Local generative adversarial network for novel structure prediction

3 July 2024 by Péter Kovács and others at

Technische Universität Wien

Theoretical and Computational Chemistry, Computational Chemistry and Modeling

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