Polymer excipient discovery
A polymer is not a molecule. It is a specification.
Repeat units, a composition, an architecture, a chain-length distribution. Anything that needs an ordinary molecule — fingerprints, docking, simulation — builds an explicit capped oligomer first and records how it was built, so every number can be read as what it is.
- Generation
- BioNeMo GenMol and MolMIM, against a deterministic baseline that needs no GPU.
- Structure
- DiffDock poses and Boltz-2 complexes, per candidate, as tracked jobs.
- Screening
- RDKit descriptors on a capped oligomer; nvMolKit for fingerprints when a GPU is present.
- Every figure
- Carries an evidence tier and a run manifest. None of them is a measurement.
Research prototype. Nothing here is a validated prediction of drug stability, shelf life or clinical performance, and no laboratory assay is connected — so the platform never returns a measured value.