Rubén Laplaza

Publication Activity (10 Years)

Years Active: 2021-2023
Publications (10 Years): 4

Top Topics

Chemical Reaction

Image Interpretation

Desirable Properties

Top Venues

Mach. Learn. Sci. Technol.

J. Comput. Chem.

J. Chem. Inf. Model.

Publications

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)
Trinidad Novoa, Rubén Laplaza, Francesca Peccati, Franck Fuster, Julia Contreras-García
The NCIWEB Server: A Novel Implementation of the Noncovalent Interactions Index for Biomolecular Systems. J. Chem. Inf. Model. 63 (15) (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)
Rubén Laplaza, Carlos Cárdenas, Patrick Chaquin, Julia Contreras-Garcia, Paul W. Ayers
Orbital energies and nuclear forces in DFT: Interpretation and validation. J. Comput. Chem. 42 (5) (2021)