rochusschmid

Ruhr-Universität BochumBochum, Germany

Pinned Repositories

bachelor_thesis
Additional code and material from BT from the CMC group
Language:Python0 1 00
supporting_data
Data, in citable form, produced by the Computational Materials Chemistry group.
Language:Python5 1 02
cmc-tools
A tool collection of the Computational Materials Chemistry group at the Ruhr-University Bochum
Language:Python9 1 02
MOFplus.github.io
Documentation
Language:HTML0 2 00
mofplus_rel
release repository for mofplus (database connections)
Language:Python0 1 00
molsys_rel
release version of molsys
Language:Python0 1 00
jax-md
Differentiable, Hardware Accelerated, Molecular Dynamics
Language:Jupyter Notebook00
lammps
Public development project of the LAMMPS MD software package
Language:C++1 1 01
lammps_interface
automatic generation of LAMMPS input files for molecular dynamics simulations of MOFs
Language:Python00
openbabel
Open Babel is a chemical toolbox designed to speak the many languages of chemical data.
Language:C++00

rochusschmid's Repositories

rochusschmid/lammps
Public development project of the LAMMPS MD software package
Language:C++1 1 01
rochusschmid/jax-md
Differentiable, Hardware Accelerated, Molecular Dynamics
Language:Jupyter Notebook00
rochusschmid/lammps_interface
automatic generation of LAMMPS input files for molecular dynamics simulations of MOFs
Language:Python00
rochusschmid/openbabel
Open Babel is a chemical toolbox designed to speak the many languages of chemical data.
Language:C++00