Chai1 Tools#

Configuration File: remote_tools/chai1_tools.json Tool Type: Remote Tools Count: 1

This page contains all tools defined in the chai1_tools.json configuration file.

Available Tools#

chai1_fold (Type: RemoteTool)#

Fold a biomolecular complex with Chai-1 and return the predicted structures in CIF format with th…

chai1_fold tool specification

Tool Information:

  • Name: chai1_fold

  • Type: RemoteTool

  • Description: Fold a biomolecular complex with Chai-1 and return the predicted structures in CIF format with their ranking scores. Input is a chai-lab FASTA: one record per chain, headers of the form ‘>protein|name=A’, ‘>ligand|name=LIG’ (sequence line is SMILES), ‘>rna|name=R’ or ‘>dna|name=D’. No MSA server is used.

Parameters:

  • fasta (string) (required) chai-lab FASTA. Example:

>protein|name=A MKTAYIAKQRQ… >ligand|name=LIG CC(=O)Oc1ccccc1C(=O)O

  • seed (integer) (optional) Random seed; the same seed reproduces the fold.

  • num_trunk_recycles (integer) (optional) Trunk recycles (default 3). More is slower and usually better.

  • num_diffn_timesteps (integer) (optional) Diffusion steps (default 200).

  • num_diffn_samples (integer) (optional) Structures to sample and rank (default 5).

  • return_structures (boolean) (optional) Return the mmCIF text of every sampled structure (default false: megabytes). The ranking scores come back either way.

Example Usage:

query = {
    "name": "chai1_fold",
    "arguments": {
        "fasta": "example_value"
    }
}
result = tu.run(query)