Pinned Repositories
GCH
Public repository for the generalized convex hull construction (GCH).
scikit-cosmo
A collection of scikit-learn compatible utilities that implement methods developed in the COSMO laboratory
utils
zeolites_iza-deem
zeolites_soap
Zeolites project
i-pi-dev_archive
Development version of i-PI
kernel-tutorials
A set of utilities and pedagogic notebooks for the use of linear and kernel methods in atomistic modeling
librascal
A scalable and versatile library to generate representations for atomic-scale learning
pamm
Tools for the Probabilistic Analysis of Molecular Motifs method
scikit-matter
A collection of scikit-learn compatible utilities that implement methods born out of the materials science and chemistry communities
bhelfrecht's Repositories
bhelfrecht/GCH
Public repository for the generalized convex hull construction (GCH).
bhelfrecht/scikit-cosmo
A collection of scikit-learn compatible utilities that implement methods developed in the COSMO laboratory
bhelfrecht/utils
bhelfrecht/zeolites_iza-deem
bhelfrecht/zeolites_soap
Zeolites project