protein-function-prediction
Skill1.1k starsChanged 8 months agoMITView on GitHub
Predict protein function and properties from amino acid sequence using BioT5. Use this skill when: (1) You have a protein sequence and want to understand its biological function, (2) You need to identify enzyme activity, pathway involvement, or molecular interactions, (3) You want a concise description of protein properties from sequence alone.
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Does not predict 3D structure or binding sites (use protein_folding or protein_binding_site_prediction tools)
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Protein Function Prediction
Predict functional annotations and properties for proteins from their amino acid sequences using the BioT5 model.
When to Use
- You have a protein FASTA sequence and need to understand its biological role
- You want to identify enzyme function, pathway involvement, or molecular mechanisms
- You need quick functional insights without experimental data
- You're characterizing novel or unannotated protein sequences
Workflow
from open_biomed.data import Protein, Text
from open_biomed.core.pipeline import InferencePipeline
# Create protein from FASTA sequence
protein = Protein.from_fasta("YOUR_AMINO_ACID_SEQUENCE")
# Create the question for functional annotation
question = Text.from_str(
"Inspect the protein sequence and offer a concise description of its properties."
)
# Load the BioT5 model for protein question answering
pipeline = InferencePipeline(
task="protein_question_answering",
model="biot5",
model_ckpt="./checkpoints/server/protein_question_answering_biot5.ckpt",
device="cuda:0"
)
# Run inference to get functional annotation
outputs = pipeline.run(protein=protein, text=question)
function_description = outputs[0][0].str
print(function_description)See examples/basic_example.py for a complete runnable script.
Expected Outputs
The model returns a text description that typically includes:
| Output Component | Example |
| Enzyme name | Phosphoribosylformylglycinamidine synthase |
| Biological pathway | Purine biosynthesis pathway |
| Catalytic activity | FGAR to FGAM conversion |
| Complex membership | Part of FGAM synthase complex (PurQ, PurL, PurS) |
| Mechanism details | ATP-dependent, glutamine amidotransferase activity |
Example Output
Part of the phosphoribosylformylglycinamidine synthase complex involved in the purines biosynthetic pathway. Catalyzes the ATP-dependent conversion of formylglycinamide ribonucleotide (FGAR) and glutamine to yield formylglycinamidine ribonucleotide (FGAM) and glutamate.
Input Formats
The skill accepts protein sequences in FASTA format (amino acid string):
# From raw sequence string
protein = Protein.from_fasta("MRVGVIRFPGSNCDRDVHHVLELAGAEPEYVWW...")
# From UniProt (get sequence first)
from open_biomed.tools.tool_registry import TOOLS
tool = TOOLS["protein_uniprot_request"]
protein, _ = tool.run(accession="P00533") # Example: EGFRError Handling
| Error | Cause | Solution |
FileNotFoundError | Model checkpoint not found | Download checkpoint to ./checkpoints/server/ |
CUDA out of memory | GPU memory insufficient | Use smaller batch or CPU device |
Sequence too long | Exceeds 512 amino acid limit | Truncate sequence or use sliding window |
Model Details
- Model: BioT5 (protein-text foundation model)
- Max sequence length: 512 amino acids
- Inference time: ~2-3 seconds per sequence on GPU
- Capabilities: Function prediction, property description, pathway annotation
Limitations
- Sequences longer than 512 residues are truncated
- Model trained on known proteins; novel folds may have lower accuracy
- Does not predict 3D structure or binding sites (use
protein_foldingorprotein_binding_site_predictiontools)
Related Skills
protein-structure-design-boltzgen: For 3D structure predictionprotein-mutation-analysis: For mutation effect predictionuniprot-query: For retrieving protein metadata from UniProt
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