intermolecular-interactions

There are 5 repositories under intermolecular-interactions topic.

  • mlund/coulombgalore

    C++ Library for Electrostatics

    Language:C++15654

  • colombarifm/themis

    Software to Assess Association Free Energies via Direct Estimative of Partition Functions

    Language:Fortran5203

  • bertadenes/xyz_analysis

    Detecting intermolecular pi-pi interactions and calculating geometric descriptors

    Language:Python2000

  • IvanChernyshov/filter_los_csd

    Code for the analysis of intermolecular interactions based on CSD structural data

    Language:Python1500

  • NatasjaWezel/project_handbag

    This is a project that I do for the computational chemistry group of the HIMS at the UvA. It's working title is: Finding and quantifying the directionality of intermolecular interactions.

    Language:Python0300