molecular-mar

gpuampy

Python tools for the analysis and process of GPUAM results.

molecular-mar.github.io

Marcos Rivera-Almazo website

AIM_NCI

Slides - Methods for the analysis of interactions in molecular systems

avogadrolibs

Avogadro libraries provide 3D rendering, visualization, analysis and data processing useful in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.

B1-Procesamiento-de-Datos-con-Python-2020-2021

beduadp

Repositorio del curso de Análisis de Datos con Pyton

beduR_s7

CppCoreGuidelines

The C++ Core Guidelines are a set of tried-and-true guidelines, rules, and best practices about coding in C++

cryorbits

Reads Crystal14 output and returns the Crystaline Orbitals IDs needed for pDOS.

crystal_functions

This repository contains functions to be used with CRYSTAL.

crystal_geompars

A python parser for CRYSTAL output last cell parameters

cube_diff

CubeDiff - Obtaining the difference between two cube files.

DES2023

Charla Reunión de la División de Estado Sólido de la SMF 2023 - Xicotepec, Puebla

FlashTalk

Flash Talk for the MSSC 2022

molecular-mar.github.io.bkp

Numerov-Hatom

Numerical solution of the Schrödinger equation for the Hydrogen atom using the Numerov method

openChem_ceuami

Presentación CEUAMI 20 Aniversario

proyectoAnalisis19

Proyecto para el módulo Análisis de datos con Python de BEDU

r_and_shiny_dashboard

Final project for the R class :)

ws_python_quimica

Mini taller de Python para Química - 2022