{
"fields": [
{
"name": "job_name",
"label": "Job name",
"kind": "text",
"default": "chai1-demo",
"required": false,
"help": "",
"options": [],
"rows": null,
"minimum": null,
"maximum": null,
"step": null,
"maxlength": null,
"accept": "",
"task": ""
},
{
"name": "sequence_molecules",
"label": "Molecules",
"kind": "molecule_builder",
"default": "[{\"type\": \"protein\", \"sequence\": \"MSTNPKPQRKTKRNTNRRPQDVKFPGG\", \"cyclic\": false, \"modifications\": []}]",
"required": true,
"help": "Add one box per chain: Protein, Ligand, DNA, or RNA. Ligands take a SMILES string (Chai-1 does not accept CCD codes). A modification applies a CCD residue code at a given position. Chai-1 does not support cyclic chains.",
"options": [
{
"value": "protein",
"label": "Protein"
},
{
"value": "ligand",
"label": "Ligand"
},
{
"value": "dna",
"label": "DNA"
},
{
"value": "rna",
"label": "RNA"
}
],
"rows": null,
"minimum": null,
"maximum": null,
"step": null,
"maxlength": null,
"accept": "",
"task": "sequence"
},
{
"name": "proteins",
"label": "Protein chains",
"kind": "textarea",
"default": "MSTNPKPQRKTKRNTNRRPQDVKFPGG",
"required": true,
"help": "One protein chain sequence per line.",
"options": [],
"rows": 6,
"minimum": null,
"maximum": null,
"step": null,
"maxlength": null,
"accept": "",
"task": "list"
},
{
"name": "dnas",
"label": "DNA chains (optional)",
"kind": "textarea",
"default": "",
"required": false,
"help": "One DNA chain sequence per line.",
"options": [],
"rows": 2,
"minimum": null,
"maximum": null,
"step": null,
"maxlength": null,
"accept": "",
"task": "list"
},
{
"name": "rnas",
"label": "RNA chains (optional)",
"kind": "textarea",
"default": "",
"required": false,
"help": "One RNA chain sequence per line.",
"options": [],
"rows": 2,
"minimum": null,
"maximum": null,
"step": null,
"maxlength": null,
"accept": "",
"task": "list"
},
{
"name": "molecules",
"label": "Molecules",
"kind": "textarea",
"default": "[{\"type\": \"protein\", \"chain\": \"A\", \"sequence\": \"MSTNPKPQRKTKRNTNRRPQDVKFPGG\"}]",
"required": true,
"help": "JSON list of {\"type\": \"protein\"|\"dna\"|\"rna\", \"chain\": \"A\", \"sequence\": \"...\"}.",
"options": [],
"rows": 6,
"minimum": null,
"maximum": null,
"step": null,
"maxlength": null,
"accept": "",
"task": "molecules"
},
{
"name": "ligands",
"label": "Ligands (optional)",
"kind": "textarea",
"default": "",
"required": false,
"help": "One ligand SMILES per line.",
"options": [],
"rows": 2,
"minimum": null,
"maximum": null,
"step": null,
"maxlength": null,
"accept": "",
"task": "list,molecules"
},
{
"name": "use_msa_server",
"label": "Use the public MSA server",
"kind": "checkbox",
"default": false,
"required": false,
"help": "Opt in to a network call to ColabFold's MMseqs2 server for better accuracy.",
"options": [],
"rows": null,
"minimum": null,
"maximum": null,
"step": null,
"maxlength": null,
"accept": "",
"task": ""
},
{
"name": "use_templates_server",
"label": "Use the public pdb100 template server",
"kind": "checkbox",
"default": false,
"required": false,
"help": "",
"options": [],
"rows": null,
"minimum": null,
"maximum": null,
"step": null,
"maxlength": null,
"accept": "",
"task": ""
},
{
"name": "pocket_restraints",
"label": "Pocket restraints (optional)",
"kind": "textarea",
"default": "",
"required": false,
"help": "JSON list, e.g. [{\"chainA\":\"A\",\"res_idxA\":1,\"chainB\":\"B\"}] (any residue on chainB near residue res_idxA on chainA).",
"options": [],
"rows": 2,
"minimum": null,
"maximum": null,
"step": null,
"maxlength": null,
"accept": "",
"task": ""
},
{
"name": "contact_restraints",
"label": "Contact restraints (optional)",
"kind": "textarea",
"default": "",
"required": false,
"help": "JSON list, e.g. [{\"chainA\":\"A\",\"res_idxA\":1,\"chainB\":\"B\",\"res_idxB\":1}].",
"options": [],
"rows": 2,
"minimum": null,
"maximum": null,
"step": null,
"maxlength": null,
"accept": "",
"task": ""
},
{
"name": "covalent_restraints",
"label": "Covalent restraints (optional)",
"kind": "textarea",
"default": "",
"required": false,
"help": "JSON list, e.g. [{\"chainA\":\"A\",\"res_idxA\":1,\"covalentAtomA\":\"C\",\"chainB\":\"B\",\"res_idxB\":1,\"covalentAtomB\":\"C\"}]. Chai-1 was not trained on intra-chain bonds; use inter-chain pairs.",
"options": [],
"rows": 2,
"minimum": null,
"maximum": null,
"step": null,
"maxlength": null,
"accept": "",
"task": ""
},
{
"name": "restraints_min_distance",
"label": "Restraints minimum distance, angstrom",
"kind": "number",
"default": 0,
"required": false,
"help": "",
"options": [],
"rows": null,
"minimum": 0,
"maximum": 20,
"step": 0.1,
"maxlength": null,
"accept": "",
"task": ""
},
{
"name": "restraints_max_distance",
"label": "Restraints maximum distance, angstrom",
"kind": "number",
"default": 5,
"required": false,
"help": "",
"options": [],
"rows": null,
"minimum": 0,
"maximum": 20,
"step": 0.1,
"maxlength": null,
"accept": "",
"task": ""
},
{
"name": "num_samples",
"label": "Diffusion samples",
"kind": "number",
"default": 5,
"required": false,
"help": "",
"options": [],
"rows": null,
"minimum": 1,
"maximum": 25,
"step": null,
"maxlength": null,
"accept": "",
"task": ""
},
{
"name": "num_trunk_samples",
"label": "Trunk samples",
"kind": "number",
"default": 1,
"required": false,
"help": "",
"options": [],
"rows": null,
"minimum": 1,
"maximum": 10,
"step": null,
"maxlength": null,
"accept": "",
"task": ""
},
{
"name": "num_recycles",
"label": "Recycles",
"kind": "number",
"default": 3,
"required": false,
"help": "",
"options": [],
"rows": null,
"minimum": 1,
"maximum": 20,
"step": null,
"maxlength": null,
"accept": "",
"task": ""
},
{
"name": "num_diffn_timesteps",
"label": "Diffusion timesteps",
"kind": "number",
"default": 200,
"required": false,
"help": "",
"options": [],
"rows": null,
"minimum": 10,
"maximum": 1000,
"step": null,
"maxlength": null,
"accept": "",
"task": ""
},
{
"name": "seed",
"label": "Random seed",
"kind": "number",
"default": 0,
"required": false,
"help": "",
"options": [],
"rows": null,
"minimum": 0,
"maximum": 2147483647,
"step": null,
"maxlength": null,
"accept": "",
"task": ""
}
],
"tasks": [
{
"value": "sequence",
"label": "Sequence"
},
{
"value": "list",
"label": "Chain list"
},
{
"value": "molecules",
"label": "Molecules (JSON)"
}
]
}