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Dataset subset

Plinder-L95

Source-defined subset: Plinder-L95. Exact membership and scoring coverage remain as reported in the cited artifact.

Evaluation results

Release 2026-09-19-eb6149e5d766 · 7 evaluations · 33 metric rows. Different protocols are not a single leaderboard. Charts retain each source table’s protocol and dataset.

Results grouped by the exact reported evaluation
Metric and findingCoverage and uncertaintyEvidence
Boltz-1 · Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries · Plinder-L95

Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries

Independent external evaluation · Evaluation metadata: discovered

60.58% chirality

Unit: percent · Direction: higher

Aggregation: percentage of molecules with consistent chirality

Uncertainty: Not reported

Scored: Not reported · Eligible: Not reported

source checkedImproving Stereochemical Limitations in Protein–Ligand Complex Structure Prediction · Table 1 (XML tbl1); row Boltz-1; column chirality; footnote a

Source checking is not independent reproduction.

0.0283 bond_rmsd

Unit: angstrom · Direction: lower

Aggregation: median

Uncertainty: Not reported

Scored: Not reported · Eligible: Not reported

source checkedImproving Stereochemical Limitations in Protein–Ligand Complex Structure Prediction · Table 1 (XML tbl1); row Boltz-1; column bond_rmsd; footnote a

Source checking is not independent reproduction.

0.4381 angle_rmsd

Unit: degree · Direction: lower

Aggregation: unreported in Table 1 footnote

Uncertainty: Not reported

Scored: Not reported · Eligible: Not reported

source checkedImproving Stereochemical Limitations in Protein–Ligand Complex Structure Prediction · Table 1 (XML tbl1); row Boltz-1; column angle_rmsd; footnote a

Source checking is not independent reproduction.

0.4041 protein_rmsd

Unit: angstrom · Direction: lower

Aggregation: median

Uncertainty: Not reported

Scored: Not reported · Eligible: Not reported

source checkedImproving Stereochemical Limitations in Protein–Ligand Complex Structure Prediction · Table 1 (XML tbl1); row Boltz-1; column protein_rmsd; footnote a

Source checking is not independent reproduction.

Boltz Rc · Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries · Plinder-L95

Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries

Author-reported evaluation · Evaluation metadata: discovered

0.2997 angle_rmsd

Unit: degree · Direction: lower

Aggregation: unreported in Table 1 footnote

Uncertainty: Not reported

Scored: Not reported · Eligible: Not reported

source checkedImproving Stereochemical Limitations in Protein–Ligand Complex Structure Prediction · Table 1 (XML tbl1); row Boltz Rc; column angle_rmsd; footnote a

Source checking is not independent reproduction.

0.4068 protein_rmsd

Unit: angstrom · Direction: lower

Aggregation: median

Uncertainty: Not reported

Scored: Not reported · Eligible: Not reported

source checkedImproving Stereochemical Limitations in Protein–Ligand Complex Structure Prediction · Table 1 (XML tbl1); row Boltz Rc; column protein_rmsd; footnote a

Source checking is not independent reproduction.

0.0215 bond_rmsd

Unit: angstrom · Direction: lower

Aggregation: median

Uncertainty: Not reported

Scored: Not reported · Eligible: Not reported

source checkedImproving Stereochemical Limitations in Protein–Ligand Complex Structure Prediction · Table 1 (XML tbl1); row Boltz Rc; column bond_rmsd; footnote a

Source checking is not independent reproduction.

Vina · Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries · Plinder-L95

Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries

Independent external evaluation · Evaluation metadata: discovered

100% chirality

Unit: percent · Direction: higher

Aggregation: percentage of molecules with consistent chirality

Uncertainty: Not reported

Scored: Not reported · Eligible: Not reported

source checkedImproving Stereochemical Limitations in Protein–Ligand Complex Structure Prediction · Table 1 (XML tbl1); row Vina; column chirality; footnote a

Source checking is not independent reproduction.

0 angle_rmsd

Unit: degree · Direction: lower

Aggregation: unreported in Table 1 footnote

Uncertainty: Not reported

Scored: Not reported · Eligible: Not reported

source checkedImproving Stereochemical Limitations in Protein–Ligand Complex Structure Prediction · Table 1 (XML tbl1); row Vina; column angle_rmsd; footnote a

Source checking is not independent reproduction.

0 bond_rmsd

Unit: angstrom · Direction: lower

Aggregation: median

Uncertainty: Not reported

Scored: Not reported · Eligible: Not reported

source checkedImproving Stereochemical Limitations in Protein–Ligand Complex Structure Prediction · Table 1 (XML tbl1); row Vina; column bond_rmsd; footnote a

Source checking is not independent reproduction.

Boltz R1 · Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries · Plinder-L95

Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries

Author-reported evaluation · Evaluation metadata: discovered

99.77% chirality

Unit: percent · Direction: higher

Aggregation: percentage of molecules with consistent chirality

Uncertainty: Not reported

Scored: Not reported · Eligible: Not reported

source checkedImproving Stereochemical Limitations in Protein–Ligand Complex Structure Prediction · Table 1 (XML tbl1); row Boltz R1; column chirality; footnote a

Source checking is not independent reproduction.

0.8973 angle_rmsd

Unit: degree · Direction: lower

Aggregation: unreported in Table 1 footnote

Uncertainty: Not reported

Scored: Not reported · Eligible: Not reported

source checkedImproving Stereochemical Limitations in Protein–Ligand Complex Structure Prediction · Table 1 (XML tbl1); row Boltz R1; column angle_rmsd; footnote a

Source checking is not independent reproduction.

0.0345 bond_rmsd

Unit: angstrom · Direction: lower

Aggregation: median

Uncertainty: Not reported

Scored: Not reported · Eligible: Not reported

source checkedImproving Stereochemical Limitations in Protein–Ligand Complex Structure Prediction · Table 1 (XML tbl1); row Boltz R1; column bond_rmsd; footnote a

Source checking is not independent reproduction.

DiffDock · Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries · Plinder-L95

Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries

Independent external evaluation · Evaluation metadata: discovered

0 angle_rmsd

Unit: degree · Direction: lower

Aggregation: unreported in Table 1 footnote

Uncertainty: Not reported

Scored: Not reported · Eligible: Not reported

source checkedImproving Stereochemical Limitations in Protein–Ligand Complex Structure Prediction · Table 1 (XML tbl1); row DiffDock; column angle_rmsd; footnote a

Source checking is not independent reproduction.

100% chirality

Unit: percent · Direction: higher

Aggregation: percentage of molecules with consistent chirality

Uncertainty: Not reported

Scored: Not reported · Eligible: Not reported

source checkedImproving Stereochemical Limitations in Protein–Ligand Complex Structure Prediction · Table 1 (XML tbl1); row DiffDock; column chirality; footnote a

Source checking is not independent reproduction.

0 bond_rmsd

Unit: angstrom · Direction: lower

Aggregation: median

Uncertainty: Not reported

Scored: Not reported · Eligible: Not reported

source checkedImproving Stereochemical Limitations in Protein–Ligand Complex Structure Prediction · Table 1 (XML tbl1); row DiffDock; column bond_rmsd; footnote a

Source checking is not independent reproduction.

AF3 · Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries · Plinder-L95

Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries

Independent external evaluation · Evaluation metadata: discovered

0.1895 angle_rmsd

Unit: degree · Direction: lower

Aggregation: unreported in Table 1 footnote

Uncertainty: Not reported

Scored: Not reported · Eligible: Not reported

source checkedImproving Stereochemical Limitations in Protein–Ligand Complex Structure Prediction · Table 1 (XML tbl1); row AF3; column angle_rmsd; footnote a

Source checking is not independent reproduction.

0.9981 ligand_rmsd

Unit: angstrom · Direction: lower

Aggregation: median

Uncertainty: Not reported

Scored: Not reported · Eligible: Not reported

source checkedImproving Stereochemical Limitations in Protein–Ligand Complex Structure Prediction · Table 1 (XML tbl1); row AF3; column ligand_rmsd; footnote a

Source checking is not independent reproduction.

70.77% chirality

Unit: percent · Direction: higher

Aggregation: percentage of molecules with consistent chirality

Uncertainty: Not reported

Scored: Not reported · Eligible: Not reported

source checkedImproving Stereochemical Limitations in Protein–Ligand Complex Structure Prediction · Table 1 (XML tbl1); row AF3; column chirality; footnote a

Source checking is not independent reproduction.

0.3632 protein_rmsd

Unit: angstrom · Direction: lower

Aggregation: median

Uncertainty: Not reported

Scored: Not reported · Eligible: Not reported

source checkedImproving Stereochemical Limitations in Protein–Ligand Complex Structure Prediction · Table 1 (XML tbl1); row AF3; column protein_rmsd; footnote a

Source checking is not independent reproduction.

Boltz R · Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries · Plinder-L95

Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries

Author-reported evaluation · Evaluation metadata: discovered

100% chirality

Unit: percent · Direction: higher

Aggregation: percentage of molecules with consistent chirality

Uncertainty: Not reported

Scored: Not reported · Eligible: Not reported

source checkedImproving Stereochemical Limitations in Protein–Ligand Complex Structure Prediction · Table 1 (XML tbl1); row Boltz R; column chirality; footnote a

Source checking is not independent reproduction.

0.4102 protein_rmsd

Unit: angstrom · Direction: lower

Aggregation: median

Uncertainty: Not reported

Scored: Not reported · Eligible: Not reported

source checkedImproving Stereochemical Limitations in Protein–Ligand Complex Structure Prediction · Table 1 (XML tbl1); row Boltz R; column protein_rmsd; footnote a

Source checking is not independent reproduction.

0.0448 angle_rmsd

Unit: degree · Direction: lower

Aggregation: unreported in Table 1 footnote

Uncertainty: Not reported

Scored: Not reported · Eligible: Not reported

source checkedImproving Stereochemical Limitations in Protein–Ligand Complex Structure Prediction · Table 1 (XML tbl1); row Boltz R; column angle_rmsd; footnote a

Source checking is not independent reproduction.

0.0003 bond_rmsd

Unit: angstrom · Direction: lower

Aggregation: median

Uncertainty: Not reported

Scored: Not reported · Eligible: Not reported

source checkedImproving Stereochemical Limitations in Protein–Ligand Complex Structure Prediction · Table 1 (XML tbl1); row Boltz R; column bond_rmsd; footnote a

Source checking is not independent reproduction.

1.381 ligand_rmsd

Unit: angstrom · Direction: lower

Aggregation: median

Uncertainty: Not reported

Scored: Not reported · Eligible: Not reported

source checkedImproving Stereochemical Limitations in Protein–Ligand Complex Structure Prediction · Table 1 (XML tbl1); row Boltz R; column ligand_rmsd; footnote a

Source checking is not independent reproduction.

Subset and evaluation context

This record describes a particular subset or cohort used in an evaluation. Its results do not describe the full dataset.

Evidence table

Inspect claims, sources and review details

Trace each statement to its source and review. A context-only reference supports the record generally; it does not verify an individual field. Source checking does not reproduce an experiment.

One row per statement and cited source. Multiple citations are not independent evaluations. Shared locators are labelled explicitly.

3 evidence rows matching the loaded filters

Claims, original sources and review scope · Release 2026-09-19-eb6149e5d766
Property and statementOriginal source and locationReview and provenance
attributes.source_locator

Table 1 (XML tbl1); row AF3; column protein_rmsd; footnote a

Context-only references
Improving Stereochemical Limitations in Protein–Ligand Complex Structure Prediction

Original source ↗

Table 1 (XML tbl1); row AF3; column protein_rmsd; footnote a

Version: version of record
Retrieved: 2026-09-16T10:41:16.555674+00:00

not individually reviewed

No individual claim review recorded

Audit details

Field: attributes.source_locator

Source artifact SHA-256: 78a77b9a0ab8bfa371f5b9baef3f443f4590d6e71cf864d67e90e9ebdfa7fc1b

Hash scope: Hash scope not separately documented; inspect source record

Inspected artifact

description

Source-defined subset: Plinder-L95. Exact membership and scoring coverage remain as reported in the cited artifact.

Context-only references
Improving Stereochemical Limitations in Protein–Ligand Complex Structure Prediction

Original source ↗

Table 1 (XML tbl1); row AF3; column protein_rmsd; footnote a

Version: version of record
Retrieved: 2026-09-16T10:41:16.555674+00:00

not individually reviewed

No individual claim review recorded

Audit details

Field: description

Source artifact SHA-256: 78a77b9a0ab8bfa371f5b9baef3f443f4590d6e71cf864d67e90e9ebdfa7fc1b

Hash scope: Hash scope not separately documented; inspect source record

Inspected artifact

name

Plinder-L95

Context-only references
Improving Stereochemical Limitations in Protein–Ligand Complex Structure Prediction

Original source ↗

Table 1 (XML tbl1); row AF3; column protein_rmsd; footnote a

Version: version of record
Retrieved: 2026-09-16T10:41:16.555674+00:00

not individually reviewed

No individual claim review recorded

Audit details

Field: name

Source artifact SHA-256: 78a77b9a0ab8bfa371f5b9baef3f443f4590d6e71cf864d67e90e9ebdfa7fc1b

Hash scope: Hash scope not separately documented; inspect source record

Inspected artifact

Sources and history

View linked audit checks and correction history

Release 2026-09-19-eb6149e5d766 · Record review: discovered

1 source records and release historyDownload this release
Technical metadata and extraction receipts

Stable ID: acquired-dataset-500bdf8d9750fb032041

source locator
Table 1 (XML tbl1); row AF3; column protein_rmsd; footnote a
missing metadata
split manifest: unextracted
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