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Oscar Xavier Guerrero's Projects

fftool icon fftool

Tool to build force field input files for molecular simulation.

jupinputsremover icon jupinputsremover

Simple Code that converts Jupyter Notebook into static html removing THE FUCKING INPUTS!!! xD

lichem_qmmm icon lichem_qmmm

Symbiotic computational chemistry; Public repository.

lock_files icon lock_files

Python command line tool to encrypt or decrypt multiple files at a time using AES encryption and a common password.

mpinterfaces icon mpinterfaces

Python package that enables high throughput analysis of interfaces(ligands/solvent/hetero-structures) using VASP, VASPsol and materialsproject tools

peps icon peps

Python Enhancement Proposals

python-regex-cheatsheet icon python-regex-cheatsheet

Python 2.7 Regular Expression cheatsheet, as a restructured text document and Makefile to convert it to PDF

synthesis icon synthesis

Calculations for metalic nanoparticles synthesis

vasp icon vasp

New ASE compliant Python interface to VASP

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