Guillaume Fraux

According to our database, Guillaume Fraux authored at least 5 papers between 2020 and 2022.

Collaborative distances:

• Dijkstra number of six.
• Erdős number of five.

2022

Unified theory of atom-centered representations and graph convolutional machine-learning schemes.

Jigyasa Nigam, Guillaume Fraux, Michele Ceriotti

CoRR, 2022

2021

The role of feature space in atomistic learning.

Alexander Goscinski, Guillaume Fraux, Giulio Imbalzano, Michele Ceriotti

Mach. Learn. Sci. Technol., 2021

2020

Structure-property maps with Kernel principal covariates regression.

Benjamin A. Helfrecht, Rose K. Cersonsky, Guillaume Fraux, Michele Ceriotti

Mach. Learn. Sci. Technol., 2020

Chemiscope: interactive structure-property explorer for materials and molecules.

Guillaume Fraux, Rose K. Cersonsky, Michele Ceriotti

J. Open Source Softw., 2020

DUBS: A Framework for Developing Directory of Useful Benchmarking Sets for Virtual Screening.

Jonathan Fine, Matthew Muhoberac, Guillaume Fraux, Gaurav Chopra

J. Chem. Inf. Model., 2020