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awesome-python-chemistry
A curated list of Python packages related to chemistryawesome-time-series
Resources for working with time series and sequence datamendeleev
A python package for accessing various properties of elements, ions and isotopes in the periodic table of elements.chemtools
Python tools for quantum chemical calculationsbatchcalculator
Batch Calculator for Zeolite synthesispanthera
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.mendeleevapp
bmatrix
raspberrypi-projects
Random collection of raspberry pi projectsdashplotter
A dash app to quickly plot stacked scatter plots from csv fileszeolite-classification
visualization of zeolite framework classificationsxrd-to-heatmap
X-ray tomgraphy data transformationase-jnb
jupyter notebooks with different viewers of ASE structuressrbogrid
Space-Reduced Bond-Order grid for diatomicsdeactivation-models
Catalyst deactivation and coke formation modelslmmentel.github.io
homepagezefram
vconstr
A suite of programs for reconstructing the exact Kohn-Sham potentials based on accurate densities.Love Open Source and this site? Check out how you can help us