Popular repositories Loading

1. XLQC XLQC Public

   My experimental quantum chemistry code

   Cuda 5 1

2. CapacMD CapacMD Public

   A Molecular Dynamics Simulation Engine Using Capacitance-Polarizability Force Field

   C++ 2 2

3. Hess_to_FF_by_XL Hess_to_FF_by_XL Public

   Convert Hessian to bond stretching and angle bending parameters

   Perl 1

4. MDTools MDTools Public

   Perl 1

5. amber_to_gmx_by_XL amber_to_gmx_by_XL Public

   Convert AMBER input files (prmcrd, prmtop) to GROMACS format (gro, top)

   Perl

6. eccd_code eccd_code Public

   code for exciton-coupled circular dichroism spectra

   C