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proteinea / src /lib /tool-mapping.ts

Mahmoud Eljendy

feat: Antibody Studio — AI-native antibody design workspace by Proteinea

30cc31a 6 months ago

7.71 kB

/**
 * Two registries live here:
 *
 * 1. TOOL_NAME_MAP (below) — demo engine short names → Hub endpoint names.
 *    Some of these target endpoints that are NOT yet registered on the live
 *    Hub (`hub-api.hound-bass.ts.net/api/registry/tools`). They'll start
 *    resolving as the build pipeline ships those images. Until then the
 *    mapping is aspirational for those lines (marked `NOT LIVE`).
 *
 * 2. LIVE_HUB_ENDPOINTS — a build-time SNAPSHOT of Hub endpoints (may drift). The tools page
 *    Hub as of 2026-04-16. Exported so the UI can browse / chip / plan
 *    against real, runnable tools (including Proteinea's proprietary Fc
 *    receptor panel, Ankh, RaGene, CRPS Fc-DMS, Boltz, RosettaFold3).
 */

/** Maps demo engine short tool names → Hub endpoint names */
export const TOOL_NAME_MAP: Record<string, string> = {
  // ---- Design tools (research-reproduction catalog, not yet live on Hub) ----
  "RFdiffusion":  "design/rfantibody",              // NOT LIVE
  "ProteinMPNN":  "design/proteinmpnn",             // NOT LIVE
  "ColabDesign":  "design/colabdesign",             // NOT LIVE
  "BindCraft":    "design/bindcraft",               // NOT LIVE
  "AntiFold":     "design/antifold",                // NOT LIVE
  "EvoProtGrad":  "design/evoprotgrad",             // NOT LIVE
  "AbMPNN":       "design/abmpnn",                  // NOT LIVE
  "IgLM":         "design/iglm",                    // NOT LIVE
  "Germinal":     "design/germinal",                // NOT LIVE
  "mBER":         "design/mber",                    // NOT LIVE
  "Mosaic":       "design/mosaic",                  // NOT LIVE

  // ---- Structure prediction — pointed at REAL live endpoints where possible ----
  "AF2":          "structure/alphafold",            // LIVE
  "Chai-1":       "structure/parallel_chai",        // LIVE
  "Boltz":        "structure/boltz",                // LIVE
  "RF3":          "structure/rosettafold3",         // LIVE (RosettaFold3)
  "RF2":          "structure/rosettafold3",         // LIVE — best available RF-family endpoint
  "MSA":          "structure/msa_generation",       // LIVE
  "ESMFold":      "structure/esmfold",              // NOT LIVE (in tools.yaml, not deployed)
  "ABodyBuilder3":"structure/abodybuilder3",        // NOT LIVE
  "Protenix":     "structure/protenix",             // NOT LIVE

  // ---- Sequence generation & fitness — LIVE proprietary stack ----
  "Ankh":         "fitness/ankh_sequence_generation",   // LIVE — Proteinea PLM
  "D3PM":         "fitness/d3pm_sequence_generation",   // LIVE
  "InverseFold":  "fitness/inverse_fold_d3pm",          // LIVE (D3PM inverse fold)
  "ESM-Fc":       "fitness/esm_predictions_fc",         // LIVE
  "GP-Fc":        "fitness/gp_predictions_fc",          // LIVE
  "CRPS-Fc-DMS":  "fitness/crps_fc_dms_binding",        // LIVE
  "CRPS-ESM":     "fitness/crps_esm_ensemble",          // LIVE

  // ---- Fc receptor panel — LIVE proprietary binders ----
  "FcgR2A":       "fc/human_fcgr2a_131r_binding_v1.1",  // LIVE
  "FcgR2B":       "fc/human_fcgr2b_binding_v1.1",       // LIVE
  "FcRn-pH6":     "fc/human_fcrn_ph6_binding_v1.1",     // LIVE — half-life
  "FcRn-pH7":     "fc/human_fcrn_ph7_binding_v1.1",     // LIVE — release kinetics
  "Fc-Convert":   "fc/human_fc_format_converter",       // LIVE

  // ---- MD validation — LIVE ----
  "MD-Validate":  "md/physical_validation",             // LIVE
  "MD-Bench":     "md/benchmarking",                    // LIVE

  // ---- Scoring tools (build-catalog, not yet live) ----
  "DeepImmuno":   "scoring/deepimmuno",             // NOT LIVE
  "pDockQ2":      "scoring/pdockq2",                // NOT LIVE
  "PyRosetta":    "scoring/pyrosetta_scoring",      // NOT LIVE
  "ThermoMPNN":   "scoring/thermompnn",             // NOT LIVE
  "ProteinMPNN-ddG": "scoring/proteinmpnn_ddg",     // NOT LIVE
  "NetSolP":      "scoring/netsolp",                // NOT LIVE
  "DeepStabP":    "scoring/deepstabp",              // NOT LIVE

  // ---- Analysis tools ----
  "ANARCI":       "analysis/anarci",                // NOT LIVE
  "Agmata":       "agonist/agmata",                 // LIVE — aggregation propensity
  "Agmata-Δ":     "agonist/agmata-delta",           // LIVE
  "PTM":          "quality/ptm",                    // LIVE — post-translational modification QC
  "Struct-Filter":"sa/structural_filtration",       // LIVE
};

/**
 * Live Hub endpoints (2026-04-16), grouped by namespace.
 * Source of truth: https://hub-api.hound-bass.ts.net/api/registry/tools
 *
 * Use these for category chips, plan-proposal tools, and browser surfaces.
 * Anything not listed here is NOT runnable right now.
 */
export const LIVE_HUB_ENDPOINTS = {
  fc: [
    "fc/human_fc_format_converter",
    "fc/human_fcgr2a_131r_binding_v1.1",
    "fc/human_fcgr2b_binding_v1.1",
    "fc/human_fcrn_ph6_binding_v1.0",
    "fc/human_fcrn_ph6_binding_v1.1",
    "fc/human_fcrn_ph7_binding_v1.0",
    "fc/human_fcrn_ph7_binding_v1.1",
    "fc/id_creation",
    "fc/undo_id_creation",
  ],
  fitness: [
    "fitness/ankh_sequence_generation",
    "fitness/cfm_generation",
    "fitness/conditional_autoencoder_generation",
    "fitness/crps_esm_ensemble",
    "fitness/crps_fc_dms_binding",
    "fitness/d3pm_sequence_generation",
    "fitness/esm_predictions_fc",
    "fitness/fc_canine_bind_rank",
    "fitness/fold_to_seq_gen",
    "fitness/gp_predictions_fc",
    "fitness/inverse_fold_d3pm",
    "fitness/inverse_fold_d3pm_single",
    "fitness/multinomial_diffusion_generation",
    "fitness/scbd_generation",
    "fitness/wj_sequence_generation",
  ],
  structure: [
    "structure/alphafold",
    "structure/alphafold-old",
    "structure/boltz",
    "structure/msa_generation",
    "structure/parallel_chai",
    "structure/rosettafold3",
  ],
  ragene: [
    "ragene/inference/list_models",
    "ragene/inference/v2",
    "ragene/inference/v3",
    "ragene/inference/v4",
    "ragene/inference/v5",
    "ragene/train/v2",
    "ragene/train/v3",
    "ragene/train/v4",
    "ragene/train/v5",
  ],
  training: [
    "training/cfm_training",
    "training/conditional_autoencoder_training",
    "training/d3pm_model_training",
    "training/denoise_bytenet_training",
    "training/multinomial_diffusion_training",
    "training/scbd_training",
  ],
  md: [
    "md/benchmarking",
    "md/optimized_standard",
    "md/physical_validation",
  ],
  agonist: ["agonist/agmata", "agonist/agmata-delta"],
  analysis: ["analysis/generative_benchmark", "analysis/regression_benchmark"],
  misc: [
    "fep/glycoprotein",
    "generation/brute_force",
    "botied/scores",
    "sa/structural_filtration",
    "quality/ptm",
  ],
} as const;

/** Human-readable labels for each namespace. Used by the tool browser UI. */
export const LIVE_HUB_CATEGORY_LABELS: Record<keyof typeof LIVE_HUB_ENDPOINTS, string> = {
  fc: "Fc receptor panel",
  fitness: "Sequence generation & fitness",
  structure: "Structure prediction",
  ragene: "RaGene",
  training: "Model training",
  md: "Molecular dynamics",
  agonist: "Aggregation",
  analysis: "Benchmarks",
  misc: "Other",
};

/** Flat list of all runnable live-Hub endpoint names (2026-04-16). */
export const LIVE_HUB_ENDPOINT_LIST: string[] = Object.values(LIVE_HUB_ENDPOINTS).flat();

/** Is this endpoint currently live on the Hub? */
export function isLiveHubEndpoint(endpoint: string): boolean {
  return LIVE_HUB_ENDPOINT_LIST.includes(endpoint);
}

/**
 * Resolve a short tool name to its Hub API endpoint name.
 * Falls back to lowercase if the name is not in the map.
 */
export function resolveToolEndpoint(shortName: string): string {
  return TOOL_NAME_MAP[shortName] ?? shortName.toLowerCase();
}

	/**
	* Two registries live here:
	*
	* 1. TOOL_NAME_MAP (below) — demo engine short names → Hub endpoint names.
	* Some of these target endpoints that are NOT yet registered on the live
	* Hub (`hub-api.hound-bass.ts.net/api/registry/tools`). They'll start
	* resolving as the build pipeline ships those images. Until then the
	* mapping is aspirational for those lines (marked `NOT LIVE`).
	*
	* 2. LIVE_HUB_ENDPOINTS — a build-time SNAPSHOT of Hub endpoints (may drift). The tools page
	* Hub as of 2026-04-16. Exported so the UI can browse / chip / plan
	* against real, runnable tools (including Proteinea's proprietary Fc
	* receptor panel, Ankh, RaGene, CRPS Fc-DMS, Boltz, RosettaFold3).
	*/

	/** Maps demo engine short tool names → Hub endpoint names */
	export const TOOL_NAME_MAP: Record<string, string> = {
	// ---- Design tools (research-reproduction catalog, not yet live on Hub) ----
	"RFdiffusion": "design/rfantibody", // NOT LIVE
	"ProteinMPNN": "design/proteinmpnn", // NOT LIVE
	"ColabDesign": "design/colabdesign", // NOT LIVE
	"BindCraft": "design/bindcraft", // NOT LIVE
	"AntiFold": "design/antifold", // NOT LIVE
	"EvoProtGrad": "design/evoprotgrad", // NOT LIVE
	"AbMPNN": "design/abmpnn", // NOT LIVE
	"IgLM": "design/iglm", // NOT LIVE
	"Germinal": "design/germinal", // NOT LIVE
	"mBER": "design/mber", // NOT LIVE
	"Mosaic": "design/mosaic", // NOT LIVE

	// ---- Structure prediction — pointed at REAL live endpoints where possible ----
	"AF2": "structure/alphafold", // LIVE
	"Chai-1": "structure/parallel_chai", // LIVE
	"Boltz": "structure/boltz", // LIVE
	"RF3": "structure/rosettafold3", // LIVE (RosettaFold3)
	"RF2": "structure/rosettafold3", // LIVE — best available RF-family endpoint
	"MSA": "structure/msa_generation", // LIVE
	"ESMFold": "structure/esmfold", // NOT LIVE (in tools.yaml, not deployed)
	"ABodyBuilder3":"structure/abodybuilder3", // NOT LIVE
	"Protenix": "structure/protenix", // NOT LIVE

	// ---- Sequence generation & fitness — LIVE proprietary stack ----
	"Ankh": "fitness/ankh_sequence_generation", // LIVE — Proteinea PLM
	"D3PM": "fitness/d3pm_sequence_generation", // LIVE
	"InverseFold": "fitness/inverse_fold_d3pm", // LIVE (D3PM inverse fold)
	"ESM-Fc": "fitness/esm_predictions_fc", // LIVE
	"GP-Fc": "fitness/gp_predictions_fc", // LIVE
	"CRPS-Fc-DMS": "fitness/crps_fc_dms_binding", // LIVE
	"CRPS-ESM": "fitness/crps_esm_ensemble", // LIVE

	// ---- Fc receptor panel — LIVE proprietary binders ----
	"FcgR2A": "fc/human_fcgr2a_131r_binding_v1.1", // LIVE
	"FcgR2B": "fc/human_fcgr2b_binding_v1.1", // LIVE
	"FcRn-pH6": "fc/human_fcrn_ph6_binding_v1.1", // LIVE — half-life
	"FcRn-pH7": "fc/human_fcrn_ph7_binding_v1.1", // LIVE — release kinetics
	"Fc-Convert": "fc/human_fc_format_converter", // LIVE

	// ---- MD validation — LIVE ----
	"MD-Validate": "md/physical_validation", // LIVE
	"MD-Bench": "md/benchmarking", // LIVE

	// ---- Scoring tools (build-catalog, not yet live) ----
	"DeepImmuno": "scoring/deepimmuno", // NOT LIVE
	"pDockQ2": "scoring/pdockq2", // NOT LIVE
	"PyRosetta": "scoring/pyrosetta_scoring", // NOT LIVE
	"ThermoMPNN": "scoring/thermompnn", // NOT LIVE
	"ProteinMPNN-ddG": "scoring/proteinmpnn_ddg", // NOT LIVE
	"NetSolP": "scoring/netsolp", // NOT LIVE
	"DeepStabP": "scoring/deepstabp", // NOT LIVE

	// ---- Analysis tools ----
	"ANARCI": "analysis/anarci", // NOT LIVE
	"Agmata": "agonist/agmata", // LIVE — aggregation propensity
	"Agmata-Δ": "agonist/agmata-delta", // LIVE
	"PTM": "quality/ptm", // LIVE — post-translational modification QC
	"Struct-Filter":"sa/structural_filtration", // LIVE
	};

	/**
	* Live Hub endpoints (2026-04-16), grouped by namespace.
	* Source of truth: https://hub-api.hound-bass.ts.net/api/registry/tools
	*
	* Use these for category chips, plan-proposal tools, and browser surfaces.
	* Anything not listed here is NOT runnable right now.
	*/
	export const LIVE_HUB_ENDPOINTS = {
	fc: [
	"fc/human_fc_format_converter",
	"fc/human_fcgr2a_131r_binding_v1.1",
	"fc/human_fcgr2b_binding_v1.1",
	"fc/human_fcrn_ph6_binding_v1.0",
	"fc/human_fcrn_ph6_binding_v1.1",
	"fc/human_fcrn_ph7_binding_v1.0",
	"fc/human_fcrn_ph7_binding_v1.1",
	"fc/id_creation",
	"fc/undo_id_creation",
	],
	fitness: [
	"fitness/ankh_sequence_generation",
	"fitness/cfm_generation",
	"fitness/conditional_autoencoder_generation",
	"fitness/crps_esm_ensemble",
	"fitness/crps_fc_dms_binding",
	"fitness/d3pm_sequence_generation",
	"fitness/esm_predictions_fc",
	"fitness/fc_canine_bind_rank",
	"fitness/fold_to_seq_gen",
	"fitness/gp_predictions_fc",
	"fitness/inverse_fold_d3pm",
	"fitness/inverse_fold_d3pm_single",
	"fitness/multinomial_diffusion_generation",
	"fitness/scbd_generation",
	"fitness/wj_sequence_generation",
	],
	structure: [
	"structure/alphafold",
	"structure/alphafold-old",
	"structure/boltz",
	"structure/msa_generation",
	"structure/parallel_chai",
	"structure/rosettafold3",
	],
	ragene: [
	"ragene/inference/list_models",
	"ragene/inference/v2",
	"ragene/inference/v3",
	"ragene/inference/v4",
	"ragene/inference/v5",
	"ragene/train/v2",
	"ragene/train/v3",
	"ragene/train/v4",
	"ragene/train/v5",
	],
	training: [
	"training/cfm_training",
	"training/conditional_autoencoder_training",
	"training/d3pm_model_training",
	"training/denoise_bytenet_training",
	"training/multinomial_diffusion_training",
	"training/scbd_training",
	],
	md: [
	"md/benchmarking",
	"md/optimized_standard",
	"md/physical_validation",
	],
	agonist: ["agonist/agmata", "agonist/agmata-delta"],
	analysis: ["analysis/generative_benchmark", "analysis/regression_benchmark"],
	misc: [
	"fep/glycoprotein",
	"generation/brute_force",
	"botied/scores",
	"sa/structural_filtration",
	"quality/ptm",
	],
	} as const;

	/** Human-readable labels for each namespace. Used by the tool browser UI. */
	export const LIVE_HUB_CATEGORY_LABELS: Record<keyof typeof LIVE_HUB_ENDPOINTS, string> = {
	fc: "Fc receptor panel",
	fitness: "Sequence generation & fitness",
	structure: "Structure prediction",
	ragene: "RaGene",
	training: "Model training",
	md: "Molecular dynamics",
	agonist: "Aggregation",
	analysis: "Benchmarks",
	misc: "Other",
	};

	/** Flat list of all runnable live-Hub endpoint names (2026-04-16). */
	export const LIVE_HUB_ENDPOINT_LIST: string[] = Object.values(LIVE_HUB_ENDPOINTS).flat();

	/** Is this endpoint currently live on the Hub? */
	export function isLiveHubEndpoint(endpoint: string): boolean {
	return LIVE_HUB_ENDPOINT_LIST.includes(endpoint);
	}

	/**
	* Resolve a short tool name to its Hub API endpoint name.
	* Falls back to lowercase if the name is not in the map.
	*/
	export function resolveToolEndpoint(shortName: string): string {
	return TOOL_NAME_MAP[shortName] ?? shortName.toLowerCase();
	}