Software developed and maintained by our group: 


HARLEM - HAmiltonians for Research of LargE Molecules  

Harlem is a highly modular multy-representation molecular modeling and analysis tool
with graphical interface (GUI), as well as a front and back ends for the major molecular modeling engines, such as AMBER and Gaussian

HARLEM recognizes a range of molecule formats: PDB, XYZ, MOL2, HIN

Interfaced with Python 3.9 for scripting and extensibility


Software used by our group:

We use a variety of Molecular modeling,visualization, simulation and design software packages:

  • Gromacs
  • Autodock VINA
  • OpenEye
  • AMPAC GUI = Gauss View
  • Pymol
  • VMD
  • TensorFlow