Configuration

AF3, 5 samples, timed per compound

Predicts a protein-ligand complex from sequence and SMILES, producing 5 samples per pair.

Overview

An explanatory profile has not yet been reviewed for this record.

Consult the linked sources for architecture or protocol details. Missing evidence is not evidence of a missing capability.

Evaluations and results

1 evaluation · 6 results. Different protocols are not a single leaderboard.

Protocol: Co-folding time per compound on five DEKOIS 2.0 targets (Shen et al. 2025 Table 5) · Dataset: DEKOIS 2.0 speed subset, five targets with 400 decoys each

Sorted by Runtime (Average total time per compound on one NVIDIA H100 80 GB, averaged over the five targets) (lower is better). The best value in each column is highlighted. Decimals are rounded for display; each value links to the printed value and its source.

Tested configuration	Runtime (Average total time per compound on one NVIDIA H100 80 GB, averaged over the five targets)	Runtime (Average total time per compound on one NVIDIA H100 80 GB, DEKOIS 2.0 target a2a)	Runtime (Average total time per compound on one NVIDIA H100 80 GB, DEKOIS 2.0 target ar)	Runtime (Average total time per compound on one NVIDIA H100 80 GB, DEKOIS 2.0 target cdk2)	Runtime (Average total time per compound on one NVIDIA H100 80 GB, DEKOIS 2.0 target ctsk)	Runtime (Average total time per compound on one NVIDIA H100 80 GB, DEKOIS 2.0 target hdac2)
AF3, 5 samples, timed per compoundEvaluation	18.4	26.3	15.4	17.5	10.3	22.6

All 6 result rows with coverage, uncertainty and sources

Filter evaluations

Tested model or methodProtocolDatasetEvaluation setupMetricEvidence origin

Applied filters: All linked evaluations

Exact evaluated configurations and original reported results
Tested configuration	Protocol and dataset	Finding	Evidence and details
Configuration: AF3, 5 samples, timed per compound	Protocol: Co-folding time per compound on five DEKOIS 2.0 targets (Shen et al. 2025 Table 5) Dataset: DEKOIS 2.0 speed subset, five targets with 400 decoys each	26.3 Runtime (Average total time per compound on one NVIDIA H100 80 GB, DEKOIS 2.0 target a2a) second · lower Uncertainty: Not reported by the source: The source prints no interval or spread for this value Coverage: Not reported scored / Not reported eligible	Author-reported evaluation · Source checked Methods, coverage and source AF3 with 5 sample(s): time per compound (Shen et al. 2025 Table 5) hitdisc-20261022-protocol-shen-speed Aggregation: Not reported Shen et al. 2025, Chemical Science (Europe PMC full text) · Table 5, row 'AF3' (Number of samples = 5), column 'a2a'
Configuration: AF3, 5 samples, timed per compound	Protocol: Co-folding time per compound on five DEKOIS 2.0 targets (Shen et al. 2025 Table 5) Dataset: DEKOIS 2.0 speed subset, five targets with 400 decoys each	15.4 Runtime (Average total time per compound on one NVIDIA H100 80 GB, DEKOIS 2.0 target ar) second · lower Uncertainty: Not reported by the source: The source prints no interval or spread for this value Coverage: Not reported scored / Not reported eligible	Author-reported evaluation · Source checked Methods, coverage and source AF3 with 5 sample(s): time per compound (Shen et al. 2025 Table 5) hitdisc-20261022-protocol-shen-speed Aggregation: Not reported Shen et al. 2025, Chemical Science (Europe PMC full text) · Table 5, row 'AF3' (Number of samples = 5), column 'ar'
Configuration: AF3, 5 samples, timed per compound	Protocol: Co-folding time per compound on five DEKOIS 2.0 targets (Shen et al. 2025 Table 5) Dataset: DEKOIS 2.0 speed subset, five targets with 400 decoys each	18.4 Runtime (Average total time per compound on one NVIDIA H100 80 GB, averaged over the five targets) second · lower Uncertainty: Not reported by the source: The source prints no interval or spread for this value Coverage: Not reported scored / Not reported eligible	Author-reported evaluation · Source checked Methods, coverage and source AF3 with 5 sample(s): time per compound (Shen et al. 2025 Table 5) hitdisc-20261022-protocol-shen-speed Aggregation: Not reported Shen et al. 2025, Chemical Science (Europe PMC full text) · Table 5, row 'AF3' (Number of samples = 5), column 'Average'
Configuration: AF3, 5 samples, timed per compound	Protocol: Co-folding time per compound on five DEKOIS 2.0 targets (Shen et al. 2025 Table 5) Dataset: DEKOIS 2.0 speed subset, five targets with 400 decoys each	17.5 Runtime (Average total time per compound on one NVIDIA H100 80 GB, DEKOIS 2.0 target cdk2) second · lower Uncertainty: Not reported by the source: The source prints no interval or spread for this value Coverage: Not reported scored / Not reported eligible	Author-reported evaluation · Source checked Methods, coverage and source AF3 with 5 sample(s): time per compound (Shen et al. 2025 Table 5) hitdisc-20261022-protocol-shen-speed Aggregation: Not reported Shen et al. 2025, Chemical Science (Europe PMC full text) · Table 5, row 'AF3' (Number of samples = 5), column 'cdk2'
Configuration: AF3, 5 samples, timed per compound	Protocol: Co-folding time per compound on five DEKOIS 2.0 targets (Shen et al. 2025 Table 5) Dataset: DEKOIS 2.0 speed subset, five targets with 400 decoys each	10.3 Runtime (Average total time per compound on one NVIDIA H100 80 GB, DEKOIS 2.0 target ctsk) second · lower Uncertainty: Not reported by the source: The source prints no interval or spread for this value Coverage: Not reported scored / Not reported eligible	Author-reported evaluation · Source checked Methods, coverage and source AF3 with 5 sample(s): time per compound (Shen et al. 2025 Table 5) hitdisc-20261022-protocol-shen-speed Aggregation: Not reported Shen et al. 2025, Chemical Science (Europe PMC full text) · Table 5, row 'AF3' (Number of samples = 5), column 'ctsk'
Configuration: AF3, 5 samples, timed per compound	Protocol: Co-folding time per compound on five DEKOIS 2.0 targets (Shen et al. 2025 Table 5) Dataset: DEKOIS 2.0 speed subset, five targets with 400 decoys each	22.6 Runtime (Average total time per compound on one NVIDIA H100 80 GB, DEKOIS 2.0 target hdac2) second · lower Uncertainty: Not reported by the source: The source prints no interval or spread for this value Coverage: Not reported scored / Not reported eligible	Author-reported evaluation · Source checked Methods, coverage and source AF3 with 5 sample(s): time per compound (Shen et al. 2025 Table 5) hitdisc-20261022-protocol-shen-speed Aggregation: Not reported Shen et al. 2025, Chemical Science (Europe PMC full text) · Table 5, row 'AF3' (Number of samples = 5), column 'hdac2'

Source checking is not independent reproduction. Release 2026-10-22-1b7cf027e4f6.

Use this configuration

How it works, versions and access

Strengths, limitations and unresolved questions

Evidence

Source checking verifies the cited claim or transcription. It does not establish independent reproduction.

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.

0 evidence rows matching the loaded filters

Claims, original sources and review scope · Release 2026-10-22-1b7cf027e4f6
Property and statement	Original source and location	Review and provenance

No evidence rows match these filters. Choose another scope or clear the search.

How to read the evidence

Sources and history

Release 2026-10-22-1b7cf027e4f6 · Record review: source checked

1 source record and release history

Shen et al. 2025, Chemical Science (Europe PMC full text) · Original source · PMC12704515 (Chem Sci, published 2025-12-11)

Download this release (gzip)

Technical metadata and extraction receipts

Stable ID: hitdisc-20261022-config-speed-af3-5

areas: molecular-interactions
contexts: research
method types: foundation_model
reported name: AF3
configuration type: paper_evaluation
foundation model eligible: true
review: method: scope-review; automated-source-review; reviewer: claude; reviewer note: Claude review agent, independent of the extraction agent; no human review claimed; date: 2026-10-22; method note: Read the record against the pinned sources and against docs/use-cases.md and docs/record-contract.md.; note: Record checked against the pinned source and the record contract. Transcription checked; not reproduced and not reviewed by a human scientist.; artifact sha256: 11a4cee97057d9e72f9393024d22fdd169e3134f493367eee2f7869facf9ccf8; retrieval url: https://www.ebi.ac.uk/europepmc/webservices/rest/PMC12704515/fullTextXML; receipt: data/omics/use-case-coverage-hitdisc-20261022/review.json
version: AlphaFold3 version 3.0.0, five predictions with random seed 1, Jackhmmer MSAs (HMMER 3.4.0)
samples: 5
hardware: accelerator: NVIDIA H100; memory: 80 GB; count: 1
parameters: Pre-computed MSAs and ligand SMILES as input; all other parameters at default or recommended values
source locator: Table 5 caption; Results 'Assessment of computational efficiency'

Related records

configuration of: AlphaFold 3
system: AF3 with 5 sample(s): time per compound (Shen et al. 2025 Table 5)

Suggest a correction