Result

0.545 Top-1 ligand RMSD <2 Å rate

Boltz-1 · Top-1 ligand RMSD <2 Å rate · Boltz-1 structure test set

Tested configuration: Boltz-1
Task: Protein–ligand pose prediction
Dataset: Boltz-1 structure test set
Related family profiles: Boltz
Procedure: Highest-confidence pose from five samples; precomputed MSAs up to 4,096 sequences.
Evaluation: Boltz-1: Protein–ligand pose prediction
Coverage: scored: unreported; eligible: unreported
Uncertainty: Not reported
Evidence: Author-reported evaluation · source checkedBoltz-1 Democratizing Biomolecular Interaction Modeling · Table 1, 3 recycling rounds / 200 steps row, L-RMSD <2Å top-1 column

A source-checked result verifies the numerical transcription, not every model or protocol detail. Evaluation metadata: needs review. Source checked does not mean independently reproduced.

Reproduction

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Adaptation: Not reported
Scoring implementation: Not reported

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Access requirements and official instructions: Protein–ligand pose prediction

Reproducing this published result requires matching its model configuration, data, split and scorer. Source checking or a successful smoke test does not establish score reproduction.

Evidence

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1 evidence row matching the loaded filters

Claims, original sources and review scope · Release 2026-09-29-06401fd5b220
Property and statement	Original source and location	Review and provenance
attributes.printed_value 0.545 Individual claims	Boltz-1 Democratizing Biomolecular Interaction Modeling Original source ↗ Table 1, 3 recycling rounds / 200 steps row, L-RMSD <2Å top-1 column Version: PMC archival version PMC11601547.4 Retrieved: 2026-09-16T10:44:03.424864+00:00	source checked independent ai table review · 2026-09-16T10:44:03.424864+00:00 author reported Audit details 3 recycling rounds and 200 steps; L-RMSD <2 Angstrom top-1 (last column), not oracle. Five samples generated; top-1 means highest-confidence candidate. Repeated reference rows are one evaluation, not independent experiments. Source check verifies central value and table context, not experiment reproduction or all metadata. Field: `attributes.printed_value` Claim: claim-lit-b3-039 Source artifact SHA-256: `1ebf712314d9a1c678ded989cc95a0c00c0331e5ad8c9f63194bc9780971d214` Hash scope: Hash scope not separately documented; inspect source record Inspected artifact Extraction artifact SHA-256: `1ebf712314d9a1c678ded989cc95a0c00c0331e5ad8c9f63194bc9780971d214` Extraction artifact

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Release 2026-09-29-06401fd5b220 · Record review: source checked

1 source records and release history

Boltz-1 Democratizing Biomolecular Interaction Modeling · Original source · PMC archival version PMC11601547.4

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Technical metadata and extraction receipts

Stable ID: lit-b3-039

areas: molecular-interactions
tasks: Protein–ligand pose prediction
printed value: 0.545
numeric value: 0.545
metric: Top-1 ligand RMSD <2 Å rate
metric direction: unknown
unit: unitless
uncertainty: Not reported
source locator: Table 1, 3 recycling rounds / 200 steps row, L-RMSD <2Å top-1 column
review: method: independent_ai_table_review; reviewer: Codex omics research agent; independent source-table review, not human review; reviewed at: 2026-09-16T10:44:03.424864+00:00; notes: 3 recycling rounds and 200 steps; L-RMSD <2 Angstrom top-1 (last column), not oracle. Five samples generated; top-1 means highest-confidence candidate. Repeated reference rows are one evaluation, not independent experiments. Source check verifies central value and table context, not experiment reproduction or all metadata.; evidence: {"table_xml_id": "T4", "row_cells": ["3", "200", "0.729", "0.716", "0.654", "0.625", "0.621", "0.580", "0.581", "0.545"], "selected_cell_zero_based": 9, "selected_cell_xml": "<td align=\"center\" valign=\"top\" style=\"border-bottom: solid 1px\" rowspan=\"1\" colspan=\"1\">0.545</td>", "caption": "Ablation on the number of recycling rounds and sampling steps for Boltz-1 on the test set. We run the ablation study generating 5 samples and evaluating both the best (oracle) and highest confidence prediction (top-1) out of the 5 for every metric. All models used pre-computed MSAs with up to 4,096 sequences. It is worth noting that the metrics are noisy, so minor inconsistencies (e.g., lack of improvement with increased recycling rounds or diffusion steps) should not be overinterpreted. Moreover, there is a slight difference with the results in Figures 5 and 7 due to differences in MSA parameters as well as the set of structures passing all ablations."}; artifact sha256: 1ebf712314d9a1c678ded989cc95a0c00c0331e5ad8c9f63194bc9780971d214; retrieval url: https://www.ebi.ac.uk/europepmc/webservices/rest/PMC11601547/fullTextXML
legacy id: lit-b3-039
legacy row: id: lit-b3-039; paper id: boltz1-2025; domain id: molecular-interactions; task: Protein–ligand pose prediction; model: Boltz-1; model version: 3 recycling rounds; 200 diffusion steps; dataset: Boltz-1 structure test set; dataset version: Not reported; split: Not reported; metric: Top-1 ligand RMSD <2 Å rate; value: 0.545; unit: unitless; uncertainty: Not reported; protocol: Highest-confidence pose from five samples; precomputed MSAs up to 4,096 sequences.; source locator: Table 1, 3 recycling rounds / 200 steps row, L-RMSD <2Å top-1 column; source url: https://pmc.ncbi.nlm.nih.gov/articles/PMC11601547/; evaluation origin: author_reported; reviewed utc: 2026-09-15T23:29:32Z
missing metadata: dataset version: not_reported_in_legacy_extract; split: not_reported_in_legacy_extract; uncertainty: not_reported_in_legacy_extract

Related records

evaluation: Boltz-1: Protein–ligand pose prediction
subject: Reported Top-1 ligand RMSD <2 Å rate for Boltz-1

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