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Graph Convolutional Policy Network for Goal-Directed Molecular Graph Generation.

J. You, B. Liu, Z. Ying, V. Pande, and J. Leskovec. NeurIPS, page 6412-6422. (2018)

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Ponraj Vijayan University of Stuttgart

Michael Pandey University of Stuttgart

S. Schumann

S. Seemann

S. Wartzack

Other publications of authors with the same name

Combining Mutual Information with Structural Analysis to Screen for Functionally Important Residues in Influenza Hemagglutinin.P. Kasson, and V. Pande. Pacific Symposium on Biocomputing, page 492-503. (2009)Constructing Multi-Resolution Markov State Models (MSMs) to Elucidate RNA Hairpin Folding Mechanisms.X. Huang, Y. Yao, G. Bowman, J. Sun, L. Guibas, G. Carlsson, and V. Pande. Pacific Symposium on Biocomputing, page 228-239. World Scientific Publishing, (2010)MDEntropy: Information-Theoretic Analyses for Molecular Dynamics.C. Hernández, and V. Pande. J. Open Source Software, 2 (19): 427 (2017)Osprey: Hyperparameter Optimization for Machine Learning.R. McGibbon, C. Hernández, M. Harrigan, S. Kearnes, M. Sultan, S. Jastrzebski, B. Husic, and V. Pande. J. Open Source Software, 1 (5): 34 (2016)Persistent voids: a new structural metric for membrane fusion.P. Kasson, A. Zomorodian, S. Park, N. Singhal, L. Guibas, and V. Pande. Bioinformatics, 23 (14): 1753-1759 (2007)Hard Data on Soft Errors: A Large-Scale Assessment of Real-World Error Rates in GPGPUI. Haque, and V. Pande. CoRR, (2009)Graph Convolutional Policy Network for Goal-Directed Molecular Graph Generation.J. You, B. Liu, R. Ying, V. Pande, and J. Leskovec. CoRR, (2018)Decision functions from supervised machine learning algorithms as collective variables for accelerating molecular simulations.M. Sultan, and V. Pande. CoRR, (2018)Retrosynthetic reaction prediction using neural sequence-to-sequence models.B. Liu, B. Ramsundar, P. Kawthekar, J. Shi, J. Gomes, Q. Nguyen, S. Ho, J. Sloane, P. Wender, and V. Pande. CoRR, (2017)CAMPAIGN: an open-source library of GPU-accelerated data clustering algorithms.K. Kohlhoff, M. Sosnick, W. Hsu, V. Pande, and R. Altman. Bioinformatics, 27 (16): 2321-2322 (2011)

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Disambiguation of "Pande, Vijay S."

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Graph Convolutional Policy Network for Goal-Directed Molecular Graph Generation.

Please choose a person to relate this publication to

Ponraj Vijayan University of Stuttgart

Michael Pandey University of Stuttgart

S. Schumann

S. Seemann

S. Wartzack

Other publications of authors with the same name

Disambiguation

PUMA

Disambiguation of "Pande, Vijay S."

copydeleteadd this publication to your clipboardcommunity posthistory of this postURLDOIBibTeXEndNoteAPAChicagoDIN 1505HarvardMSOffice XML Graph Convolutional Policy Network for Goal-Directed Molecular Graph Generation.

Please choose a person to relate this publication to

Ponraj Vijayan University of Stuttgart

Michael Pandey University of Stuttgart

S. Schumann

S. Seemann

S. Wartzack

Other publications of authors with the same name

Disambiguation

copy delete add this publication to your clipboard
community post
history of this post
URL
DOI
BibTeX
EndNote
APA
Chicago
DIN 1505
Harvard
MSOffice XML

Graph Convolutional Policy Network for Goal-Directed Molecular Graph Generation.