Kristof Schütt
Orcid: 0000-0001-8342-0964
According to our database1,
Kristof Schütt
authored at least 26 papers
between 2012 and 2024.
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Legend:
Book In proceedings Article PhD thesis Dataset OtherLinks
Online presence:
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on zbmath.org
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on twitter.com
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on id.loc.gov
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on github.com
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on d-nb.info
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on dl.acm.org
On csauthors.net:
Bibliography
2024
PILOT: Equivariant diffusion for pocket conditioned de novo ligand generation with multi-objective guidance via importance sampling.
CoRR, 2024
Navigating the Design Space of Equivariant Diffusion-Based Generative Models for De Novo 3D Molecule Generation.
Proceedings of the Twelfth International Conference on Learning Representations, 2024
Latent-Conditioned Equivariant Diffusion for Structure-Based De Novo Ligand Generation.
Proceedings of the AI in Drug Discovery - First International Workshop, 2024
2022
IEEE Trans. Pattern Anal. Mach. Intell., 2022
2021
Inverse design of 3d molecular structures with conditional generative neural networks.
CoRR, 2021
SpookyNet: Learning Force Fields with Electronic Degrees of Freedom and Nonlocal Effects.
CoRR, 2021
Equivariant message passing for the prediction of tensorial properties and molecular spectra.
Proceedings of the 38th International Conference on Machine Learning, 2021
2020
XAI for Graphs: Explaining Graph Neural Network Predictions by Identifying Relevant Walks.
CoRR, 2020
2019
Proceedings of the Explainable AI: Interpreting, 2019
Proceedings of the Explainable AI: Interpreting, 2019
Symmetry-adapted generation of 3d point sets for the targeted discovery of molecules.
Proceedings of the Advances in Neural Information Processing Systems 32: Annual Conference on Neural Information Processing Systems 2019, 2019
2018
Proceedings of the Ausgezeichnete Informatikdissertationen 2018., 2018
Learning representations of atomistic systems with deep neural networks (Lernen von Repräsentationen für atomistische Systeme mit tiefen neuronalen Netzen)
PhD thesis, 2018
CoRR, 2018
Proceedings of the 6th International Conference on Learning Representations, 2018
2017
CoRR, 2017
SchNet: A continuous-filter convolutional neural network for modeling quantum interactions.
Proceedings of the Advances in Neural Information Processing Systems 30: Annual Conference on Neural Information Processing Systems 2017, 2017
Proceedings of the Advances in Neural Information Processing Systems 30: Annual Conference on Neural Information Processing Systems 2017, 2017
2016
Investigating the influence of noise and distractors on the interpretation of neural networks.
CoRR, 2016
2012
Proceedings of the 5th ACM Workshop on Security and Artificial Intelligence, 2012