From sequence to thermal conformational ensembles of polymers.
All-atom ensemble sampled by Polyformer for a 76-residue peptide, CATH domain 3g0vA00, at two temperatures. Each ensemble: 100 conformations in ~13 seconds on a laptop RTX 4070 Ti.
This peptide is from an unseen test sample.
mdCATH reference — one frame from the molecular-dynamics trajectory for this peptide (mdCATH)
Polyformer ensemble — 100 structures sampled directly from sequence + temperature
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