qcportal

Last released Apr 4, 2025

A distributed compute and database platform for quantum chemistry.

qcfractal

Last released Apr 4, 2025

A distributed compute and database platform for quantum chemistry.

qcengine

Last released Jan 17, 2025

A compute wrapper for Quantum Chemistry.

qcelemental

Last released Jan 13, 2025

Core data structures for Quantum Chemistry.

opt-einsum

Last released Sep 26, 2024

Path optimization of einsum functions.

pymbar

Last released Mar 21, 2024

Python implementation of the multistate Bennett acceptance ratio (MBAR) method

qikpropservice

Last released Mar 10, 2022

API wrapper CLI and library for MolSSI QikProp as a Service

mmic

Last released Oct 1, 2021

cmselemental

Last released Oct 1, 2021