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Andrea Anelli, PhD 's Projects

dftbplus icon dftbplus

DFTB+ general package for performing fast atomistic simulations

gch icon gch

Public repository for the generalized convex hull construction (GCH).

genice icon genice

A swiss army knife to generate proton-disordered ice structures for GROMACS.

intermol icon intermol

Conversion tool for molecular simulations

ml_course icon ml_course

Machine Learning Course Fall 2016 (a.k.a. PCML)

quip icon quip

libAtoms/QUIP molecular dynamics framework: http://www.libatoms.org

scikit-cosmo icon scikit-cosmo

A collection of scikit-learn compatible utilities that implement methods developed in the COSMO laboratory

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