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structure-validation

Here are 3 public repositories matching this topic...

AI4QC / PRIS

Eight one-line laws that judge whether an inorganic crystal structure is physicochemically plausible and name the mechanism that fails when it is not. Discovered by autonomous agents that proposed, tested and refuted two million candidates, and cheap enough to screen a generator's output before any DFT.

python dft crystal-structure materials-science autonomous-agents generative-models interpretable-machine-learning pymatgen scientific-discovery materials-discovery synthesizability crystal-structure-prediction ai-for-science bond-valence structure-validation crystal-chemistry paulings-rules

Updated Sep 2, 2026
Python

pranavathiyani / ramacomp

RamaComp: Compare Ramachandran (φ/ψ) plots across multiple protein structures, side by side, in the browser

pdb protein-structure ramachandran-plot structure-comparison alphafold visualization-tool molprobity structure-validation

Updated Jun 14, 2026
HTML

bellcheddar / AlphaFraud

Catch AlphaFold where the fold is wrong: weekly, automatically, on freshly deposited human structures.

python bioinformatics structural-biology protein-data-bank protein-structure alphafold structure-validation

Updated Aug 5, 2026
Python

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