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Achievement: YOLOAchievement: Pull Sharkx2Achievement: Arctic Code Vault Contributor

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MolSSI / covid

MolSSI SARS-CoV-2 Biomolecular Simulation Data and Algorithm Store

HTML 31 48 Updated Dec 16, 2023

SinaMostafanejad / OpenRDM

An open-source library for reduced-density matrix-based analysis and computation

C++ 20 5 Updated Apr 2, 2023

MolSSI / QCElemental

Periodic table, physical constants, and molecule parsing for quantum chemistry.

Python 180 73 Updated Feb 10, 2026

MolSSI / QCEngine

Quantum chemistry program executor and IO standardizer (QCSchema).

Python 198 85 Updated Feb 11, 2026

MolSSI / QCFractal

A distributed compute and database platform for quantum chemistry.

Python 159 53 Updated Feb 12, 2026