Pinned Repositories
supporting_data
Data, in citable form, produced by the Computational Materials Chemistry group.
bofire
Experimental design and (multi-objective) bayesian optimization.
RetroFit
This is the repository for the latest versions of RetroFit - a python based open source program for the evaluation of CLs for retrofitting experiments of MOFs.
bofire
Experimental design and (multi-objective) bayesian optimization.
lammps
Public development project of the LAMMPS MD software package
libTX23
contoller software for the TX23 Anemometer
treegame
turbomoleio
Turbomoleio is a python package containing a set of tools for the generation of inputs and parsing of outputs for the TURBOMOLE quantum chemistry package.
mofplus_rel
release repository for mofplus (database connections)
molsys_rel
release version of molsys
jkeupp's Repositories
jkeupp/lammps
Public development project of the LAMMPS MD software package
jkeupp/bofire
Experimental design and (multi-objective) bayesian optimization.
jkeupp/libTX23
contoller software for the TX23 Anemometer
jkeupp/treegame
jkeupp/turbomoleio
Turbomoleio is a python package containing a set of tools for the generation of inputs and parsing of outputs for the TURBOMOLE quantum chemistry package.