A curated list of Python packages related to chemistry 

Other

awesome-python-chemistry

Python package for graph neural networks in chemistry and biology

Apache License 2.0

dgl-lifesci

⚗ A package useful for chemistry written in Python

BSD 2-Clause "Simplified" License

chempy

Descriptor computation(chemistry) and (optional) storage for machine learning

descriptastorus

Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python

GNU Lesser General Public License v3.0

psi4

A Flutter Package to render Mathematics, Physics and Chemistry Equations based on LaTeX

flutter_tex

Python-centric Cookiecutter for Molecular Computational Chemistry Packages

MIT License

cookiecutter-cms

The Massively Parallel Quantum Chemistry program, MPQC, computes properties of atoms and molecules from first principles using the time independent Schrödinger equation.

mpqc

Parsers and algorithms for computational chemistry logfiles

BSD 3-Clause "New" or "Revised" License

cclib

GNU Lesser General Public License v2.1

Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology

deepchem

OpenChem: Deep Learning toolkit for Computational Chemistry and Drug Design Research

OpenChem

Chemistry is a Testing Framework for Elixir

chemistry

Chainer Chemistry: A Library for Deep Learning in Biology and Chemistry

chainer-chemistry

Chemical 2D structure editor application/applet based on the Chemistry Development Kit

jchempaint


Description


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A huge list of alternatives to Google products. Privacy tips, tricks, and links.

Notesnook is a life changing notes app. With privacy at it's core, all your notes are end-to-end encrypted by default. Keep notes and save ideas with freedom. Unlike other privacy focused productivity apps, our online notepad app has great note taking features while being 100% private.

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Source Code: https://github.com/streetwriters/notesnook

A fully open source & end-to-end encrypted note taking app