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avogadroapp

Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.

avogadrolibs

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

blast-pipelines-and-fair

callforcode2018

Resources related to Call for Code Day 2018

cdk

The Chemistry Development Kit

chainer-chemistry

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

chemistry

chemistry tables and formulas

deepchem

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

guestbook

openqasm

Gate and operation specification for quantum circuits

pyscf

Python module for quantum chemistry

pysimm

python simulation interface for molecular modeling

qiskit

Qiskit is an open-source framework for working with noisy quantum computers at the level of pulses, circuits, and algorithms.

qiskit-aer

Aer is a high performance simulator for quantum circuits that includes noise models

qiskit-api-py

A Python library for the Quantum Experience API

qiskit-aqua

Aqua provides a library and tools to build applications for noisy quantum computers.

qiskit-chemistry

Qiskit Chemistry is a set of tools, algorithms and software to use for quantum chemistry research.

qiskit-js

Qiskit for JavaScript.

qiskit-presentations

Awesome Qiskit presentations

qiskit-sympy-provider

A provider which allows Qiskit to use a simulator based on Sympy

qiskit-terra

Terra provides the foundations for Qiskit. It allows the user to write quantum circuits easily, and takes care of the constraints of real hardware.

qiskit-tutorials

A collection of Jupyter notebooks from the community and qiskit developers showing how to use Qiskit

qiskit-vscode

Simplifying Qiskit to make developing quantum circuits and applications faster

quantum_package

Set of quantum chemistry programs and libraries

solution-starter-kit-cooperation-2020

WORK IN PROGRESS - Materials for the Call for Code 2020 solution starter kit for community collaboration in the context of COVID-19.