Set of scripts for working with Topas
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Apr 16, 2025 - Python
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structure-refinement
Here are 5 public repositories matching this topic...
Structure refinement software for total scattering data
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Oct 23, 2026 - C++
Refinement and analysis of structures against single crystal diffraction data
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Oct 2, 2026 - Roff
Agent-driven single-crystal X-ray structure solution and refinement workbench
react crystallography materials-science x-ray-diffraction metal-organic-frameworks fastapi structure-refinement cctbx llm-agents model-context-protocol single-crystal shelx
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Sep 20, 2026 - Python
The auxiliary desktop suite for the PolymCrystRefine workflow: polymer-crystal diffraction data processing, simulation and refinement input generation.
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Oct 22, 2026 - Vue
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