Projects | Open Source Science

Projects

Updated 6 months ago

acpype • Rank 15.3 • Science 46%

OFFICIAL: AnteChamber PYthon Parser interfacE

ambermd ambertools charmm cns gromacs python3 topologies xplor

Updated 6 months ago

pytraj • Rank 15.3 • Science 46%

Python interface of cpptraj

ambermd ambertools interactive-analysis molecular-dynamics trajectory-analysis visualization

Updated 6 months ago

enzyme-reaction-dynamics-tutorial • Science 44%

A QM-MM Tutorial of Enzyme Reaction Dynamics

ambertools enzyme-kinetics enzyme-reactions md-simulations nbo protein-ligand-interactions qm-mm terachem vdd