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: 2 months ago
JSON representation

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 (about 3 years ago)
• Default Branch: main
• Last Pushed: 2024-10-29T22:11:06.000Z (3 months ago)
• Last Synced: 2024-10-30T00:39:57.549Z (3 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: 64.1 MB
• Stars: 176
• Watchers: 5
• Forks: 48
• Open Issues: 43
• 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

Awesome Lists containing this project

• awesome-materials-informatics - quacc - **Python** platform for high-throughput, database-driven computational materials science and quantum chemistry [](https://github.com/arosen93/quacc) (Software and products)