Clémence Corminboeuf

Publication Activity (10 Years)

Years Active: 2022-2024
Publications (10 Years): 5

Top Topics

Knowledge Repository

Machine Learning

Positive Semidefinite

Chemical Reaction

Top Venues

Mach. Learn. Sci. Technol.

J. Chem. Inf. Model.

Publications

Frédéric Célerse, Matthew D. Wodrich, Sergi Vela, Simone Gallarati, Raimon Fabregat, Veronika Jurásková, Clémence Corminboeuf
From Organic Fragments to Photoswitchable Catalysts: The OFF-ON Structural Repository for Transferable Kernel-Based Potentials. J. Chem. Inf. Model. 64 (4) (2024)
Puck van Gerwen, Matthew D. Wodrich, Rubén Laplaza, Clémence Corminboeuf
Reply to Comment on 'Physics-based representations for machine learning properties of chemical reactions'. Mach. Learn. Sci. Technol. 4 (4) (2023)
Puck van Gerwen, Ksenia R. Briling, Charlotte Bunne, Vignesh Ram Somnath, Rubén Laplaza, Andreas Krause, Clémence Corminboeuf
EquiReact: An equivariant neural network for chemical reactions. CoRR (2023)
Raimon Fabregat, Puck van Gerwen, Matthieu Haeberle, Friedrich Eisenbrand, Clémence Corminboeuf
Metric learning for kernel ridge regression: assessment of molecular similarity. Mach. Learn. Sci. Technol. 3 (3) (2022)
Puck van Gerwen, Alberto Fabrizio, Matthew D. Wodrich, Clémence Corminboeuf
Physics-based representations for machine learning properties of chemical reactions. Mach. Learn. Sci. Technol. 3 (4) (2022)