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Use ESMFold model to predict 3D structure of the input protein sequence.
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Based on SOC occupation classification
| name | molclaw-esmfold |
| description | Use ESMFold model to predict 3D structure of the input protein sequence. |
| license | MIT license |
| metadata | {"skill-author":"PJLab"} |
Note:
molclaw-file-transfer before execution.molclaw-pdbfixer before execution.molclaw-scp-server to complete tool invocation.The description of tool pred_protein_structure_esmfold.
Use the ESMFold model for protein 3D structure prediction.
Args:
sequence (str): Protein sequence
Return:
status: success/error
msg: message
pdb_path (str): The predicted pdb file path
How to use tool pred_protein_structure_esmfold :
response = await client.session.call_tool(
"pred_protein_structure_esmfold",
arguments={
"sequence": sequence
}
)
result = client.parse_result(response)
pred_protein_structure = result["pdb_path"]
Predict the ADMET (absorption, distribution, metabolism, excretion, and toxicity) properties of the input molecules.
Predict binding affinity between target protein sequence and small molecule SMILES using Boltz-2.
Predict protein structures with Chai-1 from sequence or FASTA input and return model scoring summaries.
Chroma toolkit skill covering chroma_monomer for single-chain generation, chroma_complex for multi-chain assembly generation, and chroma_symmetry for symmetry-constrained protein design.
Retrieve SMILES strings from PubChem database using compound names.
Generate new molecules de novo.