A flexible Python platform for managing high-throughput computational materials science and quantum chemistry workflows. Provides a standardized interface for connecting various simulation codes with modern data orchestration tools.
Tech Stack
PythonChemistry & Materials
Why quacc?
• HPC compatible
• Python-native
• Flexible orchestration
Limitations
• Steep learning curve
• Requires domain knowledge
• Complex dependencies
3/5/2026
Last Update
69
Forks
41
Issues
BSD-3-Clause
License
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