Laboratory of Computational Science and Modeling
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i-PI: a universal force engine
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A scalable and versatile library to generate representations for atomic-scale learning
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A rehaul of the glosim code, adding new features and removing many unused ones.
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Scripts, jupyter nbs, and general helpful stuff from COSMO by COSMO
Python UpdatedNov 7, 2018 -
Development version of i-PI
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Suite of programs to perform non-linear dimensionality reduction -- sketch-map in particular
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Assorted libraries and utilities for atomistic simulation analysis
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Inputs and hand-outs for a PIMD tutorial based on i-PI
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A Python package to compute similarities between molecules and structures
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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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Tools for the Probabilistic Analysis of Molecular Motifs method
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An Interactive Sketch-Map Visualizer
JavaScript MIT UpdatedFeb 25, 2018 -
lammps
Forked from lammps/lammpsInternal COSMO developments of LAMMPS source
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plumed2
Forked from plumed/plumed2Internal COSMO developments of PLUMED2
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Utilities to generate input parameters for Generalized Langevin Equation thermostats
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Exercise files and handouts for a sampling tutorial, from thermostatting to non-linear dimentionality reduction
TeX GPL-3.0 UpdatedJul 5, 2017 -
COSMO version of gromacs
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Webpages for the code repositories of the Laboratory of Computational Science and Modelling @ EPFL
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q-e
Forked from certik/q-eCOSMO custom version of QE
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