Mattia Felice Palermo's repositories
cv-analysis
Module for basic cyclic voltammetry analysis
pka_calculator
Calculation of pKa based on XTB and Orca
compchem-scripts
A collection of executable scripts to make the life of the computational chemist easier
EC_analysis
Software tools for electrochemistry data analysis
edterm
A terminal-based GROMACS EDR data plotting tool
job-dispatcher
In-home wrapper around Multiprocessing to parallelize the execution of independent functions.
job-dispatcher-docs
Documentation development for the job-dispatcher library
mdanalysis
MDAnalysis is a Python library to analyze molecular dynamics trajectories.
pysoftk
Python program for modelling and simulating polymers.
SDS-retriever
A little tool to collect SDS from main chemical distributors
tamagotchi
A small script to visualize energies and stuff from NAMD output
enerpy
A python tool for exploring bonded interactions in Molecular Mechanics force fields
torsiondrive-on-steroids
Modified version of lpwgroup Torsiondrive software: a dihedral scanner with wavefront propagation