Niklas W. A. Gebauer 个人学术档案

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Kristof T. SchüttPfizer, Machine Learning Research在 pfizer.com 的电子邮件经过验证
Michael GasteggerMicrosoft Research AI4Science在 microsoft.com 的电子邮件经过验证
Stefaan HessmannTU Berlin在 tu-berlin.de 的电子邮件经过验证
Klaus-Robert MüllerGoogle DeepMind & TU Berlin & Korea University & Max Planck Institute for Informatics, Germany在 tu-berlin.de 的电子邮件经过验证
Jonas LedererPhD student, TU Berlin在 tu-berlin.de 的电子邮件经过验证
Stefan GuglerTU Berlin在 tu-berlin.de 的电子邮件经过验证
khaled kahouliMachine Learning Group, TU Berlin在 tu-berlin.de 的电子邮件经过验证
Shinichi NakajimaMachine Learning Group, Technische Universität Berlin在 tu-berlin.de 的电子邮件经过验证

Niklas W. A. Gebauer

Ph.D. student at Machine Learning Group, TU Berlin

在 tu-berlin.de 的电子邮件经过验证


标题按引用次数排序按年份排序按标题排序	引用次数引用次数	年份
Symmetry-adapted generation of 3d point sets for the targeted discovery of molecules N Gebauer, M Gastegger, K Schütt Advances in Neural Information Processing Systems 32, 7566-7578, 2019	224	2019
Inverse design of 3d molecular structures with conditional generative neural networks NWA Gebauer, M Gastegger, SSP Hessmann, KR Müller, KT Schütt Nature communications 13 (1), 973, 2022	151	2022
Generating equilibrium molecules with deep neural networks NWA Gebauer, M Gastegger, KT Schütt NeurIPS Workshop on Machine Learning for Molecules and Materials 2018, 2018	42	2018
SchNetPack 2.0: A neural network toolbox for atomistic machine learning KT Schütt, SSP Hessmann, NWA Gebauer, J Lederer, M Gastegger The Journal of Chemical Physics 158 (14), 2023	34	2023
3D-Scaffold: A deep learning framework to generate 3d coordinates of drug-like molecules with desired scaffolds RP Joshi, NWA Gebauer, M Bontha, M Khazaieli, RM James, JB Brown, ... The Journal of Physical Chemistry B 125 (44), 12166-12176, 2021	34	2021
Molecular relaxation by reverse diffusion with time step prediction K Kahouli, SSP Hessmann, KR Müller, S Nakajima, S Gugler, ... Machine Learning: Science and Technology, 2024		2024

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