https://github.com/Quantum-Accelerators/quacc

quacc is a flexible platform for computational materials science and quantum chemistry that is built for the big data era.
https://github.com/Quantum-Accelerators/quacc

chemistry computational-materials-science database dft high-throughput hpc python quantum-chemistry quantum-mechanics workflow

Last synced: about 2 months ago
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quacc is a flexible platform for computational materials science and quantum chemistry that is built for the big data era.

• Host: GitHub
• URL: https://github.com/Quantum-Accelerators/quacc
• Owner: Quantum-Accelerators
• License: bsd-3-clause
• Created: 2021-12-18T20:57:31.000Z (almost 3 years ago)
• Default Branch: main
• Last Pushed: 2024-04-13T23:28:05.000Z (5 months ago)
• Last Synced: 2024-04-14T02:52:27.797Z (5 months ago)
• Topics: chemistry, computational-materials-science, database, dft, high-throughput, hpc, python, quantum-chemistry, quantum-mechanics, workflow
• Language: Python
• Homepage: https://quantum-accelerators.github.io/quacc/
• Size: 62.8 MB
• Stars: 136
• Watchers: 5
• Forks: 35
• Open Issues: 35
• Metadata Files:
  • Readme: README.md
  • Changelog: CHANGELOG.md
  • License: LICENSE.md
  • Code of conduct: CODE_OF_CONDUCT.md
  • Citation: CITATION.cff
  • Codeowners: .github/CODEOWNERS
  • Security: SECURITY.md

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