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Michael Gastegger

Showing results (11-20 of 20) with videos related to

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The Journal of Chemical Physics|April 15, 2023
SchNetPack 2.0: A neural network toolbox for atomistic machine learningKristof T Schütt, Stefaan S P Hessmann, Niklas W A Gebauer, et al.
Physical Chemistry Chemical Physics : PCCP|September 26, 2023
Automatic identification of chemical moietiesJonas Lederer, Michael Gastegger, Kristof T Schütt, et al.
Nature Communications|February 22, 2022
Inverse design of 3d molecular structures with conditional generative neural networksNiklas W A Gebauer, Michael Gastegger, Stefaan S P Hessmann, et al.
Nature Communications|December 15, 2021
SpookyNet: Learning force fields with electronic degrees of freedom and nonlocal effectsOliver T Unke, Stefan Chmiela, Michael Gastegger, et al.
Phytochemistry|June 6, 2015
Loganin and secologanin derived tryptamine-iridoid alkaloids from Palicourea crocea and Palicourea padifolia (Rubiaceae)Andreas Berger, Maria Katharina Kostyan, Simon Immo Klose, et al.
Chemical Reviews|July 7, 2021
Combining Machine Learning and Computational Chemistry for Predictive Insights Into Chemical SystemsJohn A Keith, Valentin Vassilev-Galindo, Bingqing Cheng, et al.
Chemical Reviews|March 11, 2021
Machine Learning Force FieldsOliver T Unke, Stefan Chmiela, Huziel E Sauceda, et al.
Science Advances|April 5, 2024
Biomolecular dynamics with machine-learned quantum-mechanical force fields trained on diverse chemical fragmentsOliver T Unke, Martin Stöhr, Stefan Ganscha, et al.
Arxiv|January 23, 2024
Improved motif-scaffolding with SE(3) flow matchingJason Yim, Andrew Campbell, Emile Mathieu, et al.
Science (New York, N.Y.)|July 10, 2025
Scalable emulation of protein equilibrium ensembles with generative deep learningSarah Lewis, Tim Hempel, José Jiménez-Luna, et al.
Pageof 2

Showing results (11-20 of 20) with videos related to

Sort By:
Pageof 2
You have reached the last page of results.This site can display upto 20 results.
The Journal of Chemical Physics|April 15, 2023
SchNetPack 2.0: A neural network toolbox for atomistic machine learningKristof T Schütt, Stefaan S P Hessmann, Niklas W A Gebauer, et al.
Physical Chemistry Chemical Physics : PCCP|September 26, 2023
Automatic identification of chemical moietiesJonas Lederer, Michael Gastegger, Kristof T Schütt, et al.
Nature Communications|February 22, 2022
Inverse design of 3d molecular structures with conditional generative neural networksNiklas W A Gebauer, Michael Gastegger, Stefaan S P Hessmann, et al.
Nature Communications|December 15, 2021
SpookyNet: Learning force fields with electronic degrees of freedom and nonlocal effectsOliver T Unke, Stefan Chmiela, Michael Gastegger, et al.
Phytochemistry|June 6, 2015
Loganin and secologanin derived tryptamine-iridoid alkaloids from Palicourea crocea and Palicourea padifolia (Rubiaceae)Andreas Berger, Maria Katharina Kostyan, Simon Immo Klose, et al.
Chemical Reviews|July 7, 2021
Combining Machine Learning and Computational Chemistry for Predictive Insights Into Chemical SystemsJohn A Keith, Valentin Vassilev-Galindo, Bingqing Cheng, et al.
Chemical Reviews|March 11, 2021
Machine Learning Force FieldsOliver T Unke, Stefan Chmiela, Huziel E Sauceda, et al.
Science Advances|April 5, 2024
Biomolecular dynamics with machine-learned quantum-mechanical force fields trained on diverse chemical fragmentsOliver T Unke, Martin Stöhr, Stefan Ganscha, et al.
Arxiv|January 23, 2024
Improved motif-scaffolding with SE(3) flow matchingJason Yim, Andrew Campbell, Emile Mathieu, et al.
Science (New York, N.Y.)|July 10, 2025
Scalable emulation of protein equilibrium ensembles with generative deep learningSarah Lewis, Tim Hempel, José Jiménez-Luna, et al.
Pageof 2