lmmentel/deactivation-models

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Created over 7 years ago
Updated over 7 years ago

lmmentel/deactivation-models

lmmentel

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Catalyst deactivation and coke formation models

awesome-python-chemistry

A curated list of Python packages related to chemistry

awesome-time-series

Resources for working with time series and sequence data

mendeleev

A python package for accessing various properties of elements, ions and isotopes in the periodic table of elements.

Jupyter Notebook

chemtools

Python tools for quantum chemical calculations

batchcalculator

Batch Calculator for Zeolite synthesis

panthera

Python package for computing thermochemical properties of molecules and solids in the anharmonic approximation.

pydmft

Python utilities for running density matrix functional theory (DMFT) quantum chemical calculations.

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bmatrix

gamess-us-fortran-interface

Fortran interface for GAMESS(US) allowing for reading gamess files

raspberrypi-projects

Random collection of raspberry pi projects

dashplotter

A dash app to quickly plot stacked scatter plots from csv files

zeolite-classification

visualization of zeolite framework classifications

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xrd-to-heatmap

X-ray tomgraphy data transformation

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ase-jnb

jupyter notebooks with different viewers of ASE structures

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srbogrid

Space-Reduced Bond-Order grid for diatomics

Jupyter Notebook

lmmentel.github.io

zefram

vconstr

A suite of programs for reconstructing the exact Kohn-Sham potentials based on accurate densities.