Pinned Repositories
dftd3
A dispersion correction for density functionals, Hartree-Fock and semi-empirical quantum chemical methods DFT-D3
sire
Sire Molecular Simulations Framework
vmd-plugins
Modified version of VMD pligins which can be build statically. https://www.ks.uiuc.edu/Development/Download/download.cgi?PackageName=VMD
Sire
Sire Molecular Simulations Framework
sire
Sire Molecular Simulations Framework
biosimspace
An interoperable Python framework for biomolecular simulation.
sire
Sire Molecular Simulations Framework
nigel-palmer-cresset's Repositories
nigel-palmer-cresset/sire
Sire Molecular Simulations Framework