structure-validation

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.

The protein-engineering design loop as one Rust binary: mutate, fold, QC folders of models into Parquet, ESM-2 variant scoring, a terminal viewer, and a GA4GH TES 1.1 server. Science validated against mdtraj, FreeSASA, cctbx and PLIP in CI.

Structural Analysis Toolkit for PDB Rendering Automation: consistent images, overlays with RMSD, terminus comparisons, batch runs, wwPDB validation and reproducible reports. Runs on PyMOL, UCSF ChimeraX or its own built-in engine.

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

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