SerenaRosi's GitHub page

📐 Implementation of the c-RMSD and d-RMSD algorithms

C Sharp Script for Biophysics Simple Molecular Dynamics Simulation with RMSD Calculation.

ASCEC (Annealing Simulado Con Energía Cuántica) is a Python tool developed by the QFT research group designed to automatically sample molecular configurational PES and perform screening of topological features.

Python web app that compare, calculate and plot the mathematical differences between 2 sets of atomic coordinates