Pinned Loading

1. ms-ibi-pe-potential ms-ibi-pe-potential Public

   Training data and potentials for PE obtained from blended multistate IBI.

2. PINN_PDE PINN_PDE Public

   This repository includes a PINN architecture for solving a few Partial Differential Equations problems.

   Python

3. vibrational-analysis vibrational-analysis Public

   A repository containing a MATLAB code to perform vibrational analysis of structures using various methods including Modal Expansion and Impedance Matrix Methods.

   MATLAB 1

4. aa2cg aa2cg Public

   Map an all-atomistic (AA) to its corresponding coarse-grained (CG) configuration.

   C++

5. kde kde Public template

   Kernel Density Estimation of radial, bond, angle, torsion angle, and improper angle distribution functions of an atomic or coarse-grained molecular system.

   C++