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Hi there 👋

I am a Ph.D. candidate at Colorado State University using Python to automate computational chemistry tasks, data processing, feature development and collection.

Guilian Luchini's Projects

goodvibes icon goodvibes

Calculate corrections to thermochemical data from Gaussian output files

pdbremix icon pdbremix

analyse PDB files, run molecular-dynamics & analyse trajectories

pyqrc icon pyqrc

Quick Reaction Coordinate using Python

rspgrp_summit icon rspgrp_summit

A collection of submission scripts and other automation tools for use on the Summit HPC cluster by members of the Paton group

staged-recipes-1 icon staged-recipes-1

A place to submit conda recipes before they become fully fledged conda-forge feedstocks

wsterimol icon wsterimol

Generate Boltzmann-weighted Sterimol Steric Parameters for Conformationally-Flexible Substituents

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