Author of the publication

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

Chemformer: a pre-trained transformer for computational chemistry.

R. Irwin, S. Dimitriadis, J. He, and E. Bjerrum. Mach. Learn. Sci. Technol., 3 (1): 15022 (2022)

Please choose a person to relate this publication to

To differ between persons with the same name, the academic degree and the title of an important publication will be displayed. You can also use the button next to the name to display some publications already assigned to the person.

Jannik Steinbring

Jannik Matuschke

Jannik Rossenbach

Jannik Strötgen

Jannik Otto

Other publications of authors with the same name

Improving Chemical Autoencoder Latent Space and Molecular De novo Generation Diversity with Heteroencoders.E. Bjerrum. CoRR, (2018)A de novo molecular generation method using latent vector based generative adversarial network.O. Prykhodko, S. Johansson, P. Kotsias, J. Arús-Pous, E. Bjerrum, O. Engkvist, and H. Chen. J. Cheminformatics, 11 (1): 74 (2019)Chemformer: a pre-trained transformer for computational chemistry.R. Irwin, S. Dimitriadis, J. He, and E. Bjerrum. Mach. Learn. Sci. Technol., 3 (1): 15022 (2022)Human-in-the-loop assisted de novo molecular design.I. Sundin, A. Voronov, H. Xiao, K. Papadopoulos, E. Bjerrum, M. Heinonen, A. Patronov, S. Kaski, and O. Engkvist. J. Cheminformatics, 14 (1): 86 (2022)Faster and more diverse de novo molecular optimization with double-loop reinforcement learning using augmented SMILES.E. Bjerrum, C. Margreitter, T. Blaschke, S. Kolarova, and R. de Castro. J. Comput. Aided Mol. Des., 37 (8): 373-394 (August 2023)Exploring Graph Traversal Algorithms in Graph-Based Molecular Generation.R. Mercado, E. Bjerrum, and O. Engkvist. J. Chem. Inf. Model., 62 (9): 2093-2100 (2022)Direct steering of de novo molecular generation with descriptor conditional recurrent neural networks.P. Kotsias, J. Arús-Pous, H. Chen, O. Engkvist, C. Tyrchan, and E. Bjerrum. Nat. Mach. Intell., 2 (5): 254-265 (2020)Molecular Generation with Recurrent Neural Networks (RNNs).E. Bjerrum, and R. Threlfall. CoRR, (2017)LibINVENT: Reaction-based Generative Scaffold Decoration for in Silico Library Design.V. Fialková, J. Zhao, K. Papadopoulos, O. Engkvist, E. Bjerrum, T. Kogej, and A. Patronov. J. Chem. Inf. Model., 62 (9): 2046-2063 (2022)De Novo Molecular Design by Combining Deep Autoencoder Recurrent Neural Networks with Generative Topographic Mapping.B. Sattarov, I. Baskin, D. Horvath, G. Marcou, E. Bjerrum, and A. Varnek. J. Chem. Inf. Model., 59 (3): 1182-1196 (2019)

BibSonomy

Disambiguation of "Bjerrum, Esben Jannik"

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

Chemformer: a pre-trained transformer for computational chemistry.

Please choose a person to relate this publication to

Jannik Steinbring

Jannik Matuschke

Jannik Rossenbach

Jannik Strötgen

Jannik Otto

Other publications of authors with the same name

Disambiguation

BibSonomy

Disambiguation of "Bjerrum, Esben Jannik"

copydeleteadd this publication to your clipboardcommunity posthistory of this postURLDOIBibTeXEndNoteAPAChicagoDIN 1505HarvardMSOffice XML Chemformer: a pre-trained transformer for computational chemistry.

Please choose a person to relate this publication to

Jannik Steinbring

Jannik Matuschke

Jannik Rossenbach

Jannik Strötgen

Jannik Otto

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

Chemformer: a pre-trained transformer for computational chemistry.