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Journal of Chemical Information and Modeling
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February 24, 2026
ChemTorch: A Deep Learning Framework for Benchmarking and Developing Chemical Reaction Property Prediction Models
Jasper De Landsheere, Anton Zamyatin, Johannes Karwounopoulos, et al.
Digital Discovery
|
September 29, 2025
Graph-based prediction of reaction barrier heights with on-the-fly prediction of transition states
Johannes Karwounopoulos, Jasper De Landsheere, Leonard Galustian, et al.
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of 1
Search research articles
Search
Showing results (1-10 of 2) with videos related to
Sort By:
Page
of 1
Journal of Chemical Information and Modeling
|
February 24, 2026
ChemTorch: A Deep Learning Framework for Benchmarking and Developing Chemical Reaction Property Prediction Models
Jasper De Landsheere, Anton Zamyatin, Johannes Karwounopoulos, et al.
Digital Discovery
|
September 29, 2025
Graph-based prediction of reaction barrier heights with on-the-fly prediction of transition states
Johannes Karwounopoulos, Jasper De Landsheere, Leonard Galustian, et al.
Page
of 1