LatticeZero Affinity v1.3 Benchmark
Current LatticeZero Affinity v1.3 benchmark — a same-prep head-to-head against the prior baseline, both models through the identical featurizer. CASF-285 is the curated reference set; the blind2019 slice is held out (structures released ≥2019, never fit).
Physics-derived
Full MAE 1.172 kcal/mol
Evidence current
0.959
CASF-285 rho
0.813
Full rho (5327)
0.824
blind2019 held-out rho
1.172
Full MAE kcal/mol
310
CASF scored subset
LatticeZero Affinity v1.3 (LatticeZero Affinity v1.3) benchmark evidence.
Release evidence
LatticeZero Affinity v1.3
Current evidence: CASF-285 rho 0.959 on 310 curated-reference complexes; held-out blind2019 (structures released ≥2019, never fit) ranks at rho 0.824.
| Panel | Scope | Ranking | Error | Readout |
|---|---|---|---|---|
| CASF-285 | 310 curated complexes (same-prep) | rho 0.959 | MAE 0.607 | v1.3 orbitless |
| blind2019 | 421 held-out (release ≥2019) | rho 0.824 | MAE 1.065 | v1.3 orbitless (held-out) |
| PDBbind | 4584 complexes (same-prep) | rho 0.800 | MAE 1.221 | v1.3 orbitless |
| full | 5327 complexes (same-prep) | rho 0.813 | MAE 1.172 | v1.3 orbitless |
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