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Structural Biology — Overview

Kind: engine · Demo: E7 · Source: core/engines/structural-biology

Structural Biology — process overview

Illustrative. Structural Biology at a glance.

What it is

Works with the three-dimensional shape of proteins — searching, scoring and designing against them.

Why it matters

A drug has to physically fit its target. Knowing the shape, atom by atom, is what makes rational design possible.

Decision support for a qualified clinician — never autonomous diagnosis or prescribing. Every output on this page is intended to inform a clinician's judgement, not replace it.

Honest limit

ESMFold prediction and ProteinMPNN design need CUDA, and these services are not currently served from the venv that has it, so structures shown are deposited PDB entries rather than predictions made live. The engine as a whole is registered planned: no process binds its aggregate port, and the model-level capabilities are the reachable surface.

Endpoints

No service port — this subject exposes no single registered endpoint.

Capability Type Status Endpoint
esmfold-model model live localhost:8570
esm2-search model live localhost:8571
protein-developability model planned localhost:8576
mhcflurry-immunogenicity model planned localhost:8577
proteinmpnn-design model live localhost:8578
esm2-finetune model planned —
chai1-structure model planned —

Size and health
Python files 21
Lines of code 1,233
Test files 7
Containerised yes

Verify at any time:

.venv/bin/python scripts/run_all_tests.py structural-biology

Where to go next