HPC Tier Module

Molecular Graph Assembly - scaffold/site/fragment combinatorial core (no AI)

Structural core of the research-grade molecular-design engine: the shared atom-bond graph { atoms, bonds, charges?, sites?

This tool runs inside GDBS HPC. What it computes and the authorities it applies are below.

What it is

Structural core of the research-grade molecular-design engine: the shared atom-bond graph { atoms, bonds, charges?, sites? }, the additive FragmentProps descriptor, and the exact mixed-radix index<->state<->explicit-graph mapping over a fixed scaffold with N attachment sites. Deterministic and exact (integer odometer, append-only assembly so scaffold indices are stable). This is a LIBRARY brick composed by the provable sampler plugin; it computes no property and makes NO chemical claim - the embedding carries no chemical advantage (the alternative embedding benchmarked information-equivalent to Weisfeiler-Leman). The value is a provably-correct, reproducible sampler.

Honest scope

Deterministic and citation-backed: every figure is exact arithmetic or a cited rule. Any year- or jurisdiction-indexed value is a confirmable input, never an eternal hardcode. This is a computation tool, not professional (legal, tax, medical, or financial) advice - confirm against the controlling authority for your context.

Authorities cited

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Run it on your own data

Open it inside GDBS to save runs to Sandbox, attach results to a Worklog case, or share through a Gate client portal - all in the browser, nothing uploaded to anyone’s cloud.

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