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Inverse design of 3d molecular structures with conditional generative neural networks.

, , , , и . CoRR, (2021)

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Michael Bode

Le groupe international de sociétés: le système de conflit de lois en droit comparé français et allemand. HU Berlin, (2009)

Michael Liecke

Subnationale Clusterpolitik: die Biotechnologiepolitik deutscher Länder im Vergleich. Uni München, (2009)

Michael Schoierer

NS-Diktatur, Anomie und Demokratisierung Westdeutschlands. Uni Augsburg, (2007)

Michael Krug

X-ray crystallographic analysis of the archaeal transcriptional regulator TrmB and development of a graphical user interface for the monochromatic diffraction data processing software XDS. Uni Konstanz, (2009)

Michael Bernateck

Komplexes Regionales Schmerzsyndrom Typ 1 (M.Sudeck): neue Aspekte zur Symptomatologie, Pathogenese, Diagnostik und Therapie. MedH Hannover, habilitation, (2009)
 

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Improved motif-scaffolding with SE(3) flow matching., , , , , , , , , и 2 other автор(ы). CoRR, (2024)Scaling machine learning-based chemical plant simulation: A method for fine-tuning a model to induce stable fixed points., , , и . CoRR, (2023)Combining SchNet and SHARC: The SchNarc machine learning approach for excited-state dynamics., , и . CoRR, (2020)Inverse design of 3d molecular structures with conditional generative neural networks., , , , и . CoRR, (2021)Prediction of Enzyme Catalysis by Computing Reaction Energy Barriers via Steered QM/MM Molecular Dynamics Simulations and Machine Learning., , , , и . J. Chem. Inf. Model., 63 (15): 4623-4632 (августа 2023)Automatic Identification of Chemical Moieties., , , , , и . CoRR, (2022)SE(3)-equivariant prediction of molecular wavefunctions and electronic densities., , , , , и . NeurIPS, стр. 14434-14447. (2021)Generating equilibrium molecules with deep neural networks., , и . CoRR, (2018)Symmetry-adapted generation of 3d point sets for the targeted discovery of molecules., , и . NeurIPS, стр. 7564-7576. (2019)Relevant Walk Search for Explaining Graph Neural Networks., , , , , и . ICML, том 202 из Proceedings of Machine Learning Research, стр. 38301-38324. PMLR, (2023)