HPC Tier Module

Polymer Library - real repeat-unit monomers + scalable copolymer backbone (no AI)

The materials-science fragment library for the verifiable polymer-design engine: 18 real addition-polymer monomers (ethylene -> polyethylene, styrene -> polystyrene, vinyl chloride -> PVC, methyl methacrylate-class acrylates, acrylonitrile, vinyl acetate, and more) on a scalable copolymer-segment backbone whose default 4-repeat-unit space enumerates 104,976 states (nUnits and vinylidene knobs push past 1e6+).

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

What it is

The materials-science fragment library for the verifiable polymer-design engine: 18 real addition-polymer monomers (ethylene -> polyethylene, styrene -> polystyrene, vinyl chloride -> PVC, methyl methacrylate-class acrylates, acrylonitrile, vinyl acetate, and more) on a scalable copolymer-segment backbone whose default 4-repeat-unit space enumerates 104,976 states (nUnits and vinylidene knobs push past 1e6+). Every monomer carries BOTH the drug-likeness FragmentProps and its cited Fedors / Van Krevelen materials-group decomposition, so a combinatorial state carries a real polymer-property vector (solubility parameter, glass transition, density) that rides the GPU enumeration. A side group with no established published group contribution is honestly materials applicable:false, never scored on an invented value.

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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