Laboratory of Computational Science and Modeling
Results
7
repositories owned by
Laboratory of Computational Science and Modeling
chemiscope
112
Stars
27
Forks
Watchers
An interactive structure/property explorer for materials and molecules
glosim
31
Stars
12
Forks
Watchers
A Python package to compute similarities between molecules and structures
librascal
64
Stars
17
Forks
Watchers
A scalable and versatile library to generate representations for atomic-scale learning
sketchmap
36
Stars
10
Forks
Watchers
Suite of programs to perform non-linear dimensionality reduction -- sketch-map in particular
sphericart
56
Stars
11
Forks
Watchers
Multi-language library for the calculation of spherical harmonics in Cartesian coordinates