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QUIP
libAtoms/QUIP molecular dynamics framework: https://libatoms.github.iomatscipy
Materials science with Python at the atomic-scaleGAP
pymatnest
Nested Sampling codeworkflow
python workflow toolkittesting-framework
ExtXYZ.jl
Extended XYZ read/write support for Juliasilicon-testing-framework
Testing framework for silicon interatomic potentialsAtoms.jl
Julia codes for molecular simulationssoap_turbo
pymatnext
Python Nested Sampling for Materials, the Next GenerationQUIPforLAMMPS
Interface between QUIP (http://www.libatoms.org) and LAMMPS (http://lammps.sandia.gov/) MD codesExPyRe
Execute Python Remotelydap
Display Atoms with Pythonabcd-2016
Atom-Based Configuration Databaseabcd
JuLibAtoms
Various Julia Packages to interact with ASE and LibatomsGAP-doc
Obsoleted! Documentation pages for GAPquip-docker
docker-quip-base
Deprecated repo. If you think you anything need from this, look at quip-docker and scream if it's not therewiki
Public wiki for libAtoms-related pagesuniversalSOAP
heuristics to define SOAP parameters for the all chemical elementsquippy-wheels
Build PyPI wheels for quippyphonofit
python wrapper around phonopy and phono3py, includes scripts to fit potentials to phonon displacement dataLove Open Source and this site? Check out how you can help us