Details
Title
Fraux, Guillaume
Sciper ID
312073
Affiliated labs
COSMO
Publications
DUBS: A Framework for Developing Directory of Useful Benchmarking Sets for Virtual Screening
Efficient implementation of atom-density representations
Fast evaluation of spherical harmonics with sphericart
Modeling high-entropy transition metal alloys with alchemical compression
Structure-property maps with Kernel principal covariates regression
Surface segregation in high-entropy alloys from alchemical machine learning
The role of feature space in atomistic learning
Unified theory of atom-centered representations and message-passing machine-learning schemes
Efficient implementation of atom-density representations
Fast evaluation of spherical harmonics with sphericart
Modeling high-entropy transition metal alloys with alchemical compression
Structure-property maps with Kernel principal covariates regression
Surface segregation in high-entropy alloys from alchemical machine learning
The role of feature space in atomistic learning
Unified theory of atom-centered representations and message-passing machine-learning schemes
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