Autoresearch v2 demo: baseline, human best, ours best

Presentation snapshot using preserved completed runs. Denominators are shown explicitly, including N=32, N=96, and larger search results.

Reading rules

This page reports preserved completed runs. Each target is shown as Baseline, Human best, and Ours best. Baseline is the preserved baseline run for that target; Human best is the best preserved local human-designed reference available in this snapshot; Ours best is the selected v2 run node used for this comparison.

Success criterion: a self binder must pass normalized self_complex_i_pAE <= 7/31 (~0.226), self_complex_pLDDT >= 0.9, and self_binder_scRMSD_ca < 1.5. Lower iPAE and scRMSD are better; higher pLDDT is better.

TermMeaning on this page
raw successn_successful / n_finals from the run summary before unique clustering.
audit self-successSuccessful self samples included in the audit/clustering pass. This can differ from raw success when the audit filters or available outputs differ.
unique self clustersFoldSeek/self-cluster count among audited successful self samples. It is a diversity count, not another success-rate denominator.
N=32, N=96Number of final candidates evaluated for that row.
tree score traceNormalized score values from the archived tree report. These values are not success percentages.

Comparison references

TargetBaselineHuman bestOurs bestAudit note
CD458/32 = 25%; baseline unique 1/8; iPAE pass 8/32; pLDDT pass 30/32.15/32 = 46.9%; human-best unique not available; baseline unique is 1/8.22/32 = 68.8% raw success; audit self-success 21/32; 5 unique self clusters; iPAE 0.1931, pLDDT 0.9532.Audited unique count available.
BetV16/32 = 18.8%; baseline unique 1/6; iPAE pass 6/32; pLDDT pass 8/32.11/32 = 34.4%; human-best unique not available; baseline unique is 1/6.10/32 = 31.3% raw success; audit unique 4 among 10 successful self binders; iPAE 0.1529, pLDDT 0.9618.Audited unique count available.
HER2_AAV1/32 = 3.1%; compact baseline unique unavailable; iPAE pass 16/32; pLDDT pass 7/32.21/32 = 65.6%; human-best unique not available; baseline unique not resolved in compact source.9/32 = 28.1% raw success; audit unique 3 among 9 successful self binders; iPAE 0.1867, pLDDT 0.9410.Audited unique count available.
SC2RBD0/32 = 0%; baseline unique 0; iPAE pass 0/32; pLDDT pass 0/32.5/8 = 62.5%; human-best unique not available; baseline unique is 0 because baseline has 0 successes.0/32 = 0%; unique 0.Opened tree best row iPAE 0.2510, pLDDT 0.8672.

Interactive tree demos

The opened iframe uses an archived search trace for that target. The tree score trace column shows normalized score values from the report, not the raw success rate used in the comparison columns.

TargetOpened tree reportTree score trace, not success rateOurs best / audited unique
CD4514-node larger search0.0000 → 0.1250 → 0.2031 → 0.3125 → 0.3750 → 0.447922/32 raw; audit 5 unique among 21 self-successes
BetV115-node larger search0.0000 → 0.187510/32 raw; audit 4 unique among 10 self-successes
HER2_AAV6-node larger search0.0000 → 0.3438 → 0.36469/32 raw; audit 3 unique among 9 self-successes
SC2RBDnegative tree0.0000 values because no v2 candidate passes in the opened tree0/32 raw; 0 unique

Interactive target/binder structures

Representative Ours complex PDBs copied from preserved completed runs. The quantitative comparison values are the table values on this page.

Target, chain A Generated binder, chain B

3Dmol.js is loaded from a public CDN. If a browser blocks external scripts, the PDB assets remain available under demo_structures/.

Where the audited unique numbers come from

TargetOurs unique-audit sourceMeaningShown result
CD45selfhost_qwen36_05_CD45_20260420_122615_7179326
node db45199f978b
5 unique FoldSeek clusters among 21 audited successful self samples from 32 finals.22/32 online raw success for the same node.
BetV1selfhost_qwen36_23_BetV1_20260421_195532_7228133
node 6ad4f4291115
4 unique FoldSeek clusters among 10 successful self binders from 32 finals.10/32 online raw success for the same node.
HER2_AAVselfhost_qwen36_27_HER2_AAV_20260421_195532_7228134
node f7e0548068e2
3 unique FoldSeek clusters among 9 successful self binders from 32 finals.9/32 online raw success for the same node.

Success-rate bars

Bars use Baseline, Ours best, and Human best.

CD45

Baseline N=3225%
Ours best68.8%
Human best46.9%
Ours best: node db45199f978b, 22/32 online raw success, 5 unique clusters from 21 audited successful self samples.

BetV1

Baseline N=3218.8%
Ours best31.3%
Human best34.4%
Ours best: node 6ad4f4291115, 10/32 online raw success, 4 unique clusters from 10 audited successful self samples.

HER2_AAV

Baseline N=323.1%
Ours best28.1%
Human best65.6%
Ours best: node f7e0548068e2, 9/32 online raw success, 3 unique clusters from 9 audited successful self samples.

SC2RBD

Baseline N=320%
Ours best0%
Human best62.5%
Ours best remains 0 successful binders on preserved SC2RBD searches. The opened tree best row has iPAE 0.2510 and pLDDT 0.8672, outside the pass threshold.

Detailed comparison table

TargetBaselineHuman bestOurs bestStructure metrics / audit note
CD458/32 = 25%; unique 1/8; iPAE pass 8/32; pLDDT pass 30/32.15/32 = 46.9%; human-best unique not available; baseline unique is 1/8.22/32 = 68.8% raw success; audit self-success 21/32; 5 unique self clusters.Ours best node iPAE 0.1931, pLDDT 0.9532.
BetV16/32 = 18.8%; unique 1/6; iPAE pass 6/32; pLDDT pass 8/32.11/32 = 34.4%; human-best unique not available; baseline unique is 1/6.10/32 = 31.3% raw success; audit unique 4 among 10 successful self binders.Ours best node iPAE 0.1529, pLDDT 0.9618.
HER2_AAV1/32 = 3.1%; unique not resolved in compact summary; iPAE pass 16/32; pLDDT pass 7/32.21/32 = 65.6%; human-best unique not available; baseline unique not resolved in compact source.9/32 = 28.1% raw success; audit unique 3 among 9 successful self binders.Ours best node iPAE 0.1867, pLDDT 0.9410.
SC2RBD0/32 = 0%; unique 0; iPAE pass 0/32; pLDDT pass 0/32.5/8 = 62.5%; human-best unique not available; baseline unique is 0 because baseline has 0 successes.0 successful binders in preserved Ours searches.Opened tree best row iPAE 0.2510, pLDDT 0.8672. No successful unique audit.

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