basis_set_exchange

basis set library

A library containing basis sets and tools for manipulation and exchange of quantum chemistry data.

A repository for quantum chemistry basis sets

GitHub

158 stars
15 watching
47 forks
Language: Python
last commit: 2 months ago
Linked from 1 awesome list


Backlinks from these awesome lists:

Related projects:

Repository Description Stars
mcs07/molvs Tool for validating and standardizing chemical structures to improve data quality and facilitate comparisons. 159
weinbe58/quspin An exact diagonalization and quantum dynamics package for many-body systems 25
molssi/cookiecutter-cms A Python-centric template for creating computational molecular sciences packages 398
thijsmie/pocketbase A Python SDK for building fast and scalable web applications with a pocketbase database backend 40
ctrl-felix/mospy A Python library for signing and submitting transactions on the Cosmos blockchain network. 39
quantum-visualizations/qmsolve A Python module for solving and visualizing the Schrödinger equation in quantum mechanics 904
ctrl-felix/cosmospy-protobuf A Python library providing a unified interface to Cosmos Protobuf APIs for querying blockchain data. 19
quantumbfs/yao.jl A framework for designing and implementing quantum algorithms 933
lukasturcani/stk A Python library for designing and manipulating molecules, including automatic design and creation of databases. 252
xanaduai/thewalrus A comprehensive library for efficiently calculating mathematical quantities relevant to quantum computing and physics. 100
bsdz/yabte A Python module for backtesting trading strategies in financial markets 3
bbn-q/qsimulator.jl Software package for simulating the dynamics of quantum systems in general 27
david-bouyssie/libpq4s A Scala Native wrapper of the LIBPQ C library 4
cgohlke/molmass Calculates molecular properties from chemical formulas 58
basanovase/sim7600 A MicroPython library providing a set of classes to interact with the SIM7600 module for various cellular communication functions 2