Laboratory of Computational Science and Modeling
- EPFL - STI - Institute of Materials
- http://cosmo.epfl.ch
Repositories
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scikit-cosmo
A collection of scikit-learn compatible utilities that implement methods developed in the COSMO laboratory
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chemiscope
An interactive structure/property explorer for materials and molecules
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cosmo-tools
Scripts, jupyter nbs, and general helpful stuff from COSMO by COSMO
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librascal
A scalable and versatile library to generate representations for atomic-scale learning
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kernel-tutorials
A set of utilities and pedagogic notebooks for the use of linear and kernel methods in atomistic modeling
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gle4md
Utilities to generate input parameters for Generalized Langevin Equation thermostats
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glosim2
A rehaul of the glosim code, adding new features and removing many unused ones.
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glosim
A Python package to compute similarities between molecules and structures
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toolbox
Assorted libraries and utilities for atomistic simulation analysis
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pamm
Tools for the Probabilistic Analysis of Molecular Motifs method
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sketchmap
Suite of programs to perform non-linear dimensionality reduction -- sketch-map in particular
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librascal-example-data
Data for running examples in librascal
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isv
An Interactive Sketch-Map Visualizer
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sampling-tutorial
Exercise files and handouts for a sampling tutorial, from thermostatting to non-linear dimentionality reduction
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cosmo-post-install
Forked from edoardob90/cosmo-post-installA set of post-installation shell scripts for Ubuntu
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marvel-college
Teaching materials for a high-school programming camp
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gromacs-cosmo
COSMO version of gromacs
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i-pi-dev_archive
Development version of i-PI
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pimd-tutorial
Inputs and hand-outs for a PIMD tutorial based on i-PI
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cosmo-epfl.github.io
Webpages for the code repositories of the Laboratory of Computational Science and Modelling @ EPFL
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