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