Research map / Probabilistic and scientific modeling / Molecules and proteins
Energy-based models for atomic-resolution protein conformations
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Measured effects reported in the paper
| What was changed | Where | Measured | Effect |
|---|---|---|---|
| Ensemble 10 Atom Transformer models instead of using a single model | Atom Transformer · Rotamer recovery (discrete sampling) | Avg rotamer recovery rate: 70.4 -> 71.5 | Helped |
| Ensemble 10 Atom Transformer models instead of using a single model | Atom Transformer · Rotamer recovery (continuous optimization) | Avg rotamer recovery rate: 73.1 -> 74.1 | Helped |
| Use Atom Transformer rather than GraphNet | Rotamer recovery model · Rotamer recovery (continuous optimization) | Avg rotamer recovery rate: 69.0 -> 73.1 | Helped |
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