johnatanmucelini/Molecular-Binding-Algorithm-by-Surface-Mapping-MBASM
The present algorithm generates sets of atomic structures of adsorbed molecules, considering ridge structures and atoms as spheres of VDW radius (or a fraction of it).
PythonMIT
The present algorithm generates sets of atomic structures of adsorbed molecules, considering ridge structures and atoms as spheres of VDW radius (or a fraction of it).
PythonMIT