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Configuration

ProteinMPNN

ProteinMPNN designs amino-acid sequences for a supplied protein backbone.

Sources (5)dauparas/ProteinMPNN: README.md; dauparas/ProteinMPNN: training/README.md; dauparas/ProteinMPNN: protein_mpnn_utils.py; proteinmpnn: Journal full-text XML; proteinmpnn-supp: Publisher supplementary archive · ProteinMPNN paper: main-text model development; training/README.md: multi-chain training set, list.csv and cluster manifests; protein_mpnn_utils.py: ProteinMPNN; Supplementary Materials: Methods for training multi-chain models / Training data

12 evaluations · 12 results

How it worksProteinMPNN workflow
ProteinMPNN workflow1. Protein backbone. Then: 2. Structural graph features. Then: 3. Message-passing model. Then: 4. Constrained sequence samplingProteinMPNN workflow1. Protein backbone. Then: 2. Structural graph features. Then: 3. Message-passing model. Then: 4. Constrained sequence samplingProteinMPNN workflow1. Protein backbone. Then: 2. Structural graph features. Then: 3. Message-passing model. Then: 4. Constrained sequence sampling

Conceptual summary of the documented data flow; optional inputs and configured downstream stages must be reported for a reproducible evaluation.

Sources (5)dauparas/ProteinMPNN: README.md; dauparas/ProteinMPNN: training/README.md; dauparas/ProteinMPNN: protein_mpnn_utils.py; proteinmpnn: Journal full-text XML; proteinmpnn-supp: Publisher supplementary archive · ProteinMPNN paper: main-text model development; training/README.md: multi-chain training set, list.csv and cluster manifests; protein_mpnn_utils.py: ProteinMPNN; Supplementary Materials: Methods for training multi-chain models / Training data

Overview

Model type

Structure-conditioned message-passing sequence design model

Inputs

Protein backbone coordinates, with optional fixed residues, chain choices, tied positions and amino-acid constraints.

Outputs

Designed sequences, sequence scores and conditional amino-acid probabilities.

Sources (5)dauparas/ProteinMPNN: README.md; dauparas/ProteinMPNN: training/README.md; dauparas/ProteinMPNN: protein_mpnn_utils.py; proteinmpnn: Journal full-text XML; proteinmpnn-supp: Publisher supplementary archive · ProteinMPNN paper: main-text model development; training/README.md: multi-chain training set, list.csv and cluster manifests; protein_mpnn_utils.py: ProteinMPNN; Supplementary Materials: Methods for training multi-chain models / Training data

limited source coverage · Automated source review, 2026-09-16. All specifications and missing details

Evaluations and results

12 evaluations · 12 results. Different protocols are not a single leaderboard.

Filter evaluations

Applied filters: All linked evaluations

Exact evaluated configurations and original reported results
Tested configurationProtocol and datasetFindingEvidence and details
Configuration: ProteinMPNNTask: ProteinBench IF-DE-NOVO-BACKBONES-BASED-SEQUENCE-DESIGN-LENGTH-100-PLDDT: De novo backbones based sequence design, length 100 pLDDT
Dataset subset: CASP, CAMEO and de novo backbones (ProteinBench split)
94.1 plddt
score · higher

Uncertainty: Not reported

Coverage: Not reported scored / Not reported eligible

Author-reported evaluation · Source checked
Methods, coverage and source

ProteinMPNN on ProteinBench IF-DE-NOVO-BACKBONES-BASED-SEQUENCE-DESIGN-LENGTH-100-PLDDT: De novo backbones based sequence design, length 100 pLDDT

Inverse folding: recover a sequence for a given backbone. Values are the median over repeated runs.

Aggregation: Not reported

proteinbench primary benchmark evidence · Table 2, row(ProteinMPNN), column(De novo backbones based sequence design, length 100 pLDDT ↑)
Configuration: ProteinMPNNTask: ProteinBench IF-DE-NOVO-BACKBONES-BASED-SEQUENCE-DESIGN-LENGTH-100-SCTM: De novo backbones based sequence design, length 100 scTM
Dataset subset: CASP, CAMEO and de novo backbones (ProteinBench split)
0.962 sctm
score · higher

Uncertainty: Not reported

Coverage: Not reported scored / Not reported eligible

Author-reported evaluation · Source checked
Methods, coverage and source

ProteinMPNN on ProteinBench IF-DE-NOVO-BACKBONES-BASED-SEQUENCE-DESIGN-LENGTH-100-SCTM: De novo backbones based sequence design, length 100 scTM

Inverse folding: recover a sequence for a given backbone. Values are the median over repeated runs.

Aggregation: Not reported

proteinbench primary benchmark evidence · Table 2, row(ProteinMPNN), column(De novo backbones based sequence design, length 100 scTM ↑)
Configuration: ProteinMPNNTask: ProteinBench IF-DE-NOVO-BACKBONES-BASED-SEQUENCE-DESIGN-LENGTH-200-PLDDT: De novo backbones based sequence design, length 200 pLDDT
Dataset subset: CASP, CAMEO and de novo backbones (ProteinBench split)
89.3 plddt
score · higher

Uncertainty: Not reported

Coverage: Not reported scored / Not reported eligible

Author-reported evaluation · Source checked
Methods, coverage and source

ProteinMPNN on ProteinBench IF-DE-NOVO-BACKBONES-BASED-SEQUENCE-DESIGN-LENGTH-200-PLDDT: De novo backbones based sequence design, length 200 pLDDT

Inverse folding: recover a sequence for a given backbone. Values are the median over repeated runs.

Aggregation: Not reported

proteinbench primary benchmark evidence · Table 2, row(ProteinMPNN), column(De novo backbones based sequence design, length 200 pLDDT ↑)
Configuration: ProteinMPNNTask: ProteinBench IF-DE-NOVO-BACKBONES-BASED-SEQUENCE-DESIGN-LENGTH-200-SCTM: De novo backbones based sequence design, length 200 scTM
Dataset subset: CASP, CAMEO and de novo backbones (ProteinBench split)
0.945 sctm
score · higher

Uncertainty: Not reported

Coverage: Not reported scored / Not reported eligible

Author-reported evaluation · Source checked
Methods, coverage and source

ProteinMPNN on ProteinBench IF-DE-NOVO-BACKBONES-BASED-SEQUENCE-DESIGN-LENGTH-200-SCTM: De novo backbones based sequence design, length 200 scTM

Inverse folding: recover a sequence for a given backbone. Values are the median over repeated runs.

Aggregation: Not reported

proteinbench primary benchmark evidence · Table 2, row(ProteinMPNN), column(De novo backbones based sequence design, length 200 scTM ↑)
Configuration: ProteinMPNNTask: ProteinBench IF-DE-NOVO-BACKBONES-BASED-SEQUENCE-DESIGN-LENGTH-300-PLDDT: De novo backbones based sequence design, length 300 pLDDT
Dataset subset: CASP, CAMEO and de novo backbones (ProteinBench split)
90.3 plddt
score · higher

Uncertainty: Not reported

Coverage: Not reported scored / Not reported eligible

Author-reported evaluation · Source checked
Methods, coverage and source

ProteinMPNN on ProteinBench IF-DE-NOVO-BACKBONES-BASED-SEQUENCE-DESIGN-LENGTH-300-PLDDT: De novo backbones based sequence design, length 300 pLDDT

Inverse folding: recover a sequence for a given backbone. Values are the median over repeated runs.

Aggregation: Not reported

proteinbench primary benchmark evidence · Table 2, row(ProteinMPNN), column(De novo backbones based sequence design, length 300 pLDDT ↑)
Configuration: ProteinMPNNTask: ProteinBench IF-DE-NOVO-BACKBONES-BASED-SEQUENCE-DESIGN-LENGTH-300-SCTM: De novo backbones based sequence design, length 300 scTM
Dataset subset: CASP, CAMEO and de novo backbones (ProteinBench split)
0.962 sctm
score · higher

Uncertainty: Not reported

Coverage: Not reported scored / Not reported eligible

Author-reported evaluation · Source checked
Methods, coverage and source

ProteinMPNN on ProteinBench IF-DE-NOVO-BACKBONES-BASED-SEQUENCE-DESIGN-LENGTH-300-SCTM: De novo backbones based sequence design, length 300 scTM

Inverse folding: recover a sequence for a given backbone. Values are the median over repeated runs.

Aggregation: Not reported

proteinbench primary benchmark evidence · Table 2, row(ProteinMPNN), column(De novo backbones based sequence design, length 300 scTM ↑)
Configuration: ProteinMPNNTask: ProteinBench IF-DE-NOVO-BACKBONES-BASED-SEQUENCE-DESIGN-LENGTH-400-PLDDT: De novo backbones based sequence design, length 400 pLDDT
Dataset subset: CASP, CAMEO and de novo backbones (ProteinBench split)
83.8 plddt
score · higher

Uncertainty: Not reported

Coverage: Not reported scored / Not reported eligible

Author-reported evaluation · Source checked
Methods, coverage and source

ProteinMPNN on ProteinBench IF-DE-NOVO-BACKBONES-BASED-SEQUENCE-DESIGN-LENGTH-400-PLDDT: De novo backbones based sequence design, length 400 pLDDT

Inverse folding: recover a sequence for a given backbone. Values are the median over repeated runs.

Aggregation: Not reported

proteinbench primary benchmark evidence · Table 2, row(ProteinMPNN), column(De novo backbones based sequence design, length 400 pLDDT ↑)
Configuration: ProteinMPNNTask: ProteinBench IF-DE-NOVO-BACKBONES-BASED-SEQUENCE-DESIGN-LENGTH-400-SCTM: De novo backbones based sequence design, length 400 scTM
Dataset subset: CASP, CAMEO and de novo backbones (ProteinBench split)
0.875 sctm
score · higher

Uncertainty: Not reported

Coverage: Not reported scored / Not reported eligible

Author-reported evaluation · Source checked
Methods, coverage and source

ProteinMPNN on ProteinBench IF-DE-NOVO-BACKBONES-BASED-SEQUENCE-DESIGN-LENGTH-400-SCTM: De novo backbones based sequence design, length 400 scTM

Inverse folding: recover a sequence for a given backbone. Values are the median over repeated runs.

Aggregation: Not reported

proteinbench primary benchmark evidence · Table 2, row(ProteinMPNN), column(De novo backbones based sequence design, length 400 scTM ↑)
Configuration: ProteinMPNNTask: ProteinBench IF-DE-NOVO-BACKBONES-BASED-SEQUENCE-DESIGN-LENGTH-500-PLDDT: De novo backbones based sequence design, length 500 pLDDT
Dataset subset: CASP, CAMEO and de novo backbones (ProteinBench split)
67.1 plddt
score · higher

Uncertainty: Not reported

Coverage: Not reported scored / Not reported eligible

Author-reported evaluation · Source checked
Methods, coverage and source

ProteinMPNN on ProteinBench IF-DE-NOVO-BACKBONES-BASED-SEQUENCE-DESIGN-LENGTH-500-PLDDT: De novo backbones based sequence design, length 500 pLDDT

Inverse folding: recover a sequence for a given backbone. Values are the median over repeated runs.

Aggregation: Not reported

proteinbench primary benchmark evidence · Table 2, row(ProteinMPNN), column(De novo backbones based sequence design, length 500 pLDDT ↑)
Configuration: ProteinMPNNTask: ProteinBench IF-DE-NOVO-BACKBONES-BASED-SEQUENCE-DESIGN-LENGTH-500-SCTM: De novo backbones based sequence design, length 500 scTM
Dataset subset: CASP, CAMEO and de novo backbones (ProteinBench split)
0.568 sctm
score · higher

Uncertainty: Not reported

Coverage: Not reported scored / Not reported eligible

Author-reported evaluation · Source checked
Methods, coverage and source

ProteinMPNN on ProteinBench IF-DE-NOVO-BACKBONES-BASED-SEQUENCE-DESIGN-LENGTH-500-SCTM: De novo backbones based sequence design, length 500 scTM

Inverse folding: recover a sequence for a given backbone. Values are the median over repeated runs.

Aggregation: Not reported

proteinbench primary benchmark evidence · Table 2, row(ProteinMPNN), column(De novo backbones based sequence design, length 500 scTM ↑)
Configuration: ProteinMPNNTask: ProteinBench IF-FITTING-EVOLUTION-DISTRIBUTION-CAMEO-AAR: Fitting Evolution Distribution, CAMEO AAR
Dataset subset: CASP, CAMEO and de novo backbones (ProteinBench split)
0.468 aar
score · higher

Uncertainty: Not reported

Coverage: Not reported scored / Not reported eligible

Author-reported evaluation · Source checked
Methods, coverage and source

ProteinMPNN on ProteinBench IF-FITTING-EVOLUTION-DISTRIBUTION-CAMEO-AAR: Fitting Evolution Distribution, CAMEO AAR

Inverse folding: recover a sequence for a given backbone. Values are the median over repeated runs.

Aggregation: Not reported

proteinbench primary benchmark evidence · Table 2, row(ProteinMPNN), column(Fitting Evolution Distribution, CAMEO AAR ↑)
Configuration: ProteinMPNNTask: ProteinBench IF-FITTING-EVOLUTION-DISTRIBUTION-CASP-AAR: Fitting Evolution Distribution, CASP AAR
Dataset subset: CASP, CAMEO and de novo backbones (ProteinBench split)
0.45 aar
score · higher

Uncertainty: Not reported

Coverage: Not reported scored / Not reported eligible

Author-reported evaluation · Source checked
Methods, coverage and source

ProteinMPNN on ProteinBench IF-FITTING-EVOLUTION-DISTRIBUTION-CASP-AAR: Fitting Evolution Distribution, CASP AAR

Inverse folding: recover a sequence for a given backbone. Values are the median over repeated runs.

Aggregation: Not reported

proteinbench primary benchmark evidence · Table 2, row(ProteinMPNN), column(Fitting Evolution Distribution, CASP AAR ↑)

Source checking is not independent reproduction. Release 2026-09-29-06401fd5b220.

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How it works, versions and access

Related profile: ProteinMPNN. This page retains the exact record and its evaluation context.

This configuration

Protein model evaluated by the ProteinBench authors under their harness.

record
ProteinMPNN
configuration
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entity type
Configuration

How it works

How it works

ProteinMPNN converts a supplied backbone into a graph whose edges encode interatomic distances. Message-passing layers update node and edge features, and an autoregressive decoder samples amino acids while conditioning on the backbone and previously assigned residues. Fixed residues, tied positions and chain choices change the design task and must accompany its result.

Sources (5)dauparas/ProteinMPNN: README.md; dauparas/ProteinMPNN: training/README.md; dauparas/ProteinMPNN: protein_mpnn_utils.py; proteinmpnn: Journal full-text XML; proteinmpnn-supp: Publisher supplementary archive · ProteinMPNN paper: main-text model development; training/README.md: multi-chain training set, list.csv and cluster manifests; protein_mpnn_utils.py: ProteinMPNN; Supplementary Materials: Methods for training multi-chain models / Training data
Versions and reproducibility

v_48_002, v_48_010, v_48_020 and v_48_030; distinct soluble and C-alpha-only weights. Structure-size and memory dependent. README --max_length is an implementation guard, not a validated scientific context limit.

Sources (5)dauparas/ProteinMPNN: README.md; dauparas/ProteinMPNN: training/README.md; dauparas/ProteinMPNN: protein_mpnn_utils.py; proteinmpnn: Journal full-text XML; proteinmpnn-supp: Publisher supplementary archive · ProteinMPNN paper: main-text model development; training/README.md: multi-chain training set, list.csv and cluster manifests; protein_mpnn_utils.py: ProteinMPNN; Supplementary Materials: Methods for training multi-chain models / Training data
Strengths, limitations and unresolved questions

Strengths and limitations

Strengths and considerations

Limitations and conditions

Profile review details

Inspected pinned official documentation, relevant implementation files and named primary-paper sections. Claims are limited to those artifacts. Remaining field extraction and identity conflicts are explicit; no new performance claims, model runs or human review are implied.

Stable record: discovery-model-proteinmpnn

Specifications

Inputs, training, access and other details

Explanatory profile: limited source coverage · Automated source review, 2026-09-16. Review applies to the cited claims; unresolved fields are listed below. Numerical results retain their own review status.

Inputs, outputs and configuration
PropertyDescription and evidence
Model typeStructure-conditioned message-passing sequence design model
Sources (5)dauparas/ProteinMPNN: README.md; dauparas/ProteinMPNN: training/README.md; dauparas/ProteinMPNN: protein_mpnn_utils.py; proteinmpnn: Journal full-text XML; proteinmpnn-supp: Publisher supplementary archive · ProteinMPNN paper: main-text model development; training/README.md: multi-chain training set, list.csv and cluster manifests; protein_mpnn_utils.py: ProteinMPNN; Supplementary Materials: Methods for training multi-chain models / Training data
ArchitectureMessage-passing encoder-decoder with structural interatomic-distance features and edge updates; sequences are sampled with the configured autoregressive decoding procedure.
Sources (5)dauparas/ProteinMPNN: README.md; dauparas/ProteinMPNN: training/README.md; dauparas/ProteinMPNN: protein_mpnn_utils.py; proteinmpnn: Journal full-text XML; proteinmpnn-supp: Publisher supplementary archive · ProteinMPNN paper: main-text model development; training/README.md: multi-chain training set, list.csv and cluster manifests; protein_mpnn_utils.py: ProteinMPNN; Supplementary Materials: Methods for training multi-chain models / Training data
InputsProtein backbone coordinates, with optional fixed residues, chain choices, tied positions and amino-acid constraints.
Sources (5)dauparas/ProteinMPNN: README.md; dauparas/ProteinMPNN: training/README.md; dauparas/ProteinMPNN: protein_mpnn_utils.py; proteinmpnn: Journal full-text XML; proteinmpnn-supp: Publisher supplementary archive · ProteinMPNN paper: main-text model development; training/README.md: multi-chain training set, list.csv and cluster manifests; protein_mpnn_utils.py: ProteinMPNN; Supplementary Materials: Methods for training multi-chain models / Training data
OutputsDesigned sequences, sequence scores and conditional amino-acid probabilities.
Sources (5)dauparas/ProteinMPNN: README.md; dauparas/ProteinMPNN: training/README.md; dauparas/ProteinMPNN: protein_mpnn_utils.py; proteinmpnn: Journal full-text XML; proteinmpnn-supp: Publisher supplementary archive · ProteinMPNN paper: main-text model development; training/README.md: multi-chain training set, list.csv and cluster manifests; protein_mpnn_utils.py: ProteinMPNN; Supplementary Materials: Methods for training multi-chain models / Training data
ParametersThe inspected model implementation is configured through encoder/decoder depth and feature width. The paper and training README do not state an exact total for every released checkpoint. · Not reported in inspected sources
Sources (5)dauparas/ProteinMPNN: README.md; dauparas/ProteinMPNN: training/README.md; dauparas/ProteinMPNN: protein_mpnn_utils.py; proteinmpnn: Journal full-text XML; proteinmpnn-supp: Publisher supplementary archive · ProteinMPNN paper: main-text model development; training/README.md: multi-chain training set, list.csv and cluster manifests; protein_mpnn_utils.py: ProteinMPNN; Supplementary Materials: Methods for training multi-chain models / Training data
Known versionsv_48_002, v_48_010, v_48_020 and v_48_030; distinct soluble and C-alpha-only weights.
Sources (5)dauparas/ProteinMPNN: README.md; dauparas/ProteinMPNN: training/README.md; dauparas/ProteinMPNN: protein_mpnn_utils.py; proteinmpnn: Journal full-text XML; proteinmpnn-supp: Publisher supplementary archive · ProteinMPNN paper: main-text model development; training/README.md: multi-chain training set, list.csv and cluster manifests; protein_mpnn_utils.py: ProteinMPNN; Supplementary Materials: Methods for training multi-chain models / Training data
Training dataReleased multi-chain training set of PDB biological units, with chain metadata and validation/test cluster manifests. The documented set is dated 2 August 2021.
Sources (5)dauparas/ProteinMPNN: README.md; dauparas/ProteinMPNN: training/README.md; dauparas/ProteinMPNN: protein_mpnn_utils.py; proteinmpnn: Journal full-text XML; proteinmpnn-supp: Publisher supplementary archive · ProteinMPNN paper: main-text model development; training/README.md: multi-chain training set, list.csv and cluster manifests; protein_mpnn_utils.py: ProteinMPNN; Supplementary Materials: Methods for training multi-chain models / Training data
Training cutoffThe released PDB training-set snapshot is dated 2021-08-02; preserve its chain-level deposition metadata and cluster split for a run.
Sources (5)dauparas/ProteinMPNN: README.md; dauparas/ProteinMPNN: training/README.md; dauparas/ProteinMPNN: protein_mpnn_utils.py; proteinmpnn: Journal full-text XML; proteinmpnn-supp: Publisher supplementary archive · ProteinMPNN paper: main-text model development; training/README.md: multi-chain training set, list.csv and cluster manifests; protein_mpnn_utils.py: ProteinMPNN; Supplementary Materials: Methods for training multi-chain models / Training data
Context limitsStructure-size and memory dependent. README --max_length is an implementation guard, not a validated scientific context limit.
Sources (5)dauparas/ProteinMPNN: README.md; dauparas/ProteinMPNN: training/README.md; dauparas/ProteinMPNN: protein_mpnn_utils.py; proteinmpnn: Journal full-text XML; proteinmpnn-supp: Publisher supplementary archive · ProteinMPNN paper: main-text model development; training/README.md: multi-chain training set, list.csv and cluster manifests; protein_mpnn_utils.py: ProteinMPNN; Supplementary Materials: Methods for training multi-chain models / Training data
Weights licenceSeparate checkpoint-distribution terms are not stated in the inspected release documentation and licence material. The source-code licence alone is not recorded as an explicit weight grant. · Not reported in inspected sources
Sources (6)dauparas/ProteinMPNN: README.md; dauparas/ProteinMPNN: training/README.md; dauparas/ProteinMPNN: protein_mpnn_utils.py; proteinmpnn: Journal full-text XML; proteinmpnn-supp: Publisher supplementary archive; dauparas/ProteinMPNN: LICENSE · ProteinMPNN paper: main-text model development; training/README.md: multi-chain training set, list.csv and cluster manifests; protein_mpnn_utils.py: ProteinMPNN; Supplementary Materials: Methods for training multi-chain models / Training data; LICENSE: licence text
AccessOfficial project documentation and implementation: https://github.com/dauparas/ProteinMPNN
Sources (5)dauparas/ProteinMPNN: README.md; dauparas/ProteinMPNN: training/README.md; dauparas/ProteinMPNN: protein_mpnn_utils.py; proteinmpnn: Journal full-text XML; proteinmpnn-supp: Publisher supplementary archive · ProteinMPNN paper: main-text model development; training/README.md: multi-chain training set, list.csv and cluster manifests; protein_mpnn_utils.py: ProteinMPNN; Supplementary Materials: Methods for training multi-chain models / Training data
Code licenceMIT
Sourcesdauparas/ProteinMPNN: LICENSE · LICENSE: licence text

Evidence

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Claims, original sources and review scope · Release 2026-09-29-06401fd5b220
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Relationship: family
discovery-model-proteinmpnn
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proteinbench primary benchmark evidence

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Tables 2; task methods and corresponding named row

Version: 2409.06744v1
Retrieved: 2026-09-16T21:07:13.231727+00:00

source checked

automated source review · 2026-09-23

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Source review establishes this relationship only. Exact evaluated configurations and original numerical review status remain unchanged. Paper evaluates this named model under its ProteinBench harness. Association is to the family, not an assertion of checkpoint equivalence or cross-task comparability.

Field: links:family:discovery-model-proteinmpnn

Claim: model-evaluation-identity-ef61334eed18290462db

Source artifact SHA-256: 4334d636223ad42bfb9ae68aae03f5a255c29ba1cebe7b8f9588fb3b9b5453b2

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Stable ID: proteinbench-method-proteinmpnn

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