{ "params": { "fasta_list": { "type": "file[]", "description": "FASTA files containing protein sequences", "default": [], "required": true, "pipeline_io": "input", "var_name": "params.fasta_list", "examples": [ ["/omic/olamide/examples/prot1.fasta", "/omic/olamide/examples/prot2.fasta"] ], "pattern": ".*\\.fasta$", "validation": {}, "notes": "Select one or more FASTA files with protein sequences" }, "outdir": { "type": "folder", "description": "Output Directory", "default": "/omic/olamide/output", "required": true, "pipeline_io": "output", "var_name": "params.outdir", "examples": [ "/omic/olamide/output" ], "pattern": ".*", "validation": {}, "notes": "Select where to save your analysis results" }, "num_samples": { "type": "integer", "description": "Number of protein structure samples", "default": 10, "required": true, "pipeline_io": "parameter", "var_name": "params.num_samples", "examples": [ "10" ], "pattern": "^\\d+$", "validation": { "min": 1 }, "notes": "More samples provide better coverage of conformational space" }, "batch_size_100": { "type": "integer", "description": "Batch size parameter", "default": 10, "required": false, "pipeline_io": "parameter", "var_name": "params.batch_size_100", "hidden": true, "examples": [ "10" ], "pattern": "^\\d+$" }, "temperature": { "type": "integer", "description": "Temperature (K) for free energy", "default": 300, "required": false, "pipeline_io": "parameter", "var_name": "params.temperature", "examples": [ "300" ], "pattern": "^\\d+$", "validation": { "min": 200, "max": 500 }, "notes": "Temperature in Kelvin for free energy calculations" }, "n_clusters": { "type": "integer", "description": "Number of conformational clusters", "default": 5, "required": false, "pipeline_io": "parameter", "var_name": "params.n_clusters", "examples": [ "5" ], "pattern": "^\\d+$", "validation": { "min": 2 }, "notes": "Number of clusters for free energy analysis" }, "cache_dir": { "type": "folder", "description": "Embeddings cache directory", "default": "/tmp/bioemu_cache", "required": false, "pipeline_io": "parameter", "var_name": "params.cache_dir", "hidden": true, "examples": [ "/tmp/bioemu_cache" ] } } }