@aleph-ai/tinyaleph 1.2.1 → 1.3.0

package/backends/bioinformatics/index.js

@@ -0,0 +1,522 @@
+/**
+ * BioinformaticsBackend - Prime-based biological computation
+ * 
+ * A complete backend for bioinformatics within the tinyaleph framework.
+ * Treats biological systems as prime-resonant information processors.
+ * 
+ * Features:
+ * - DNA/RNA/Protein sequence encoding to primes
+ * - Central Dogma transforms (transcription, translation)
+ * - Protein folding via Kuramoto oscillator dynamics
+ * - Molecular binding via prime resonance
+ * - DNA computing (logic gates, strand displacement)
+ */
+
+const { Backend } = require('../interface');
+const { Hypercomplex } = require('../../core/hypercomplex');
+const { primeToFrequency } = require('../../core/prime');
+
+// Import all submodules
+const encoding = require('./encoding');
+const geneticCode = require('./genetic-code');
+const { TranscriptionOperator } = require('./transcription');
+const { TranslationOperator } = require('./translation');
+const { FoldingTransform } = require('./folding');
+const dnaComputing = require('./dna-computing');
+const binding = require('./binding');
+
+/**
+ * BioinformaticsBackend
+ * 
+ * Implements the Backend interface for biological computation.
+ */
+class BioinformaticsBackend extends Backend {
+  constructor(config = {}) {
+    super(config);
+    
+    this.dimension = config.dimension || 32;
+    
+    // Initialize encodings
+    this.nucleotidePrimes = config.nucleotidePrimes || encoding.NUCLEOTIDE_PRIMES;
+    this.aminoAcidPrimes = config.aminoAcidPrimes || encoding.AMINO_ACID_PRIMES;
+    this.geneticCode = config.geneticCode || geneticCode.STANDARD_GENETIC_CODE;
+    
+    // Initialize operators
+    this.transcription = new TranscriptionOperator(config.transcriptionOptions || {});
+    this.translation = new TranslationOperator(this.geneticCode);
+    this.folding = new FoldingTransform(config.foldingOptions || {});
+    this.affinityCalculator = new binding.BindingAffinityCalculator(config.bindingOptions || {});
+    this.docker = new binding.MolecularDocker(config.dockingOptions || {});
+    
+    // Build prime list (all biological primes)
+    this.config.primes = this.buildPrimeList();
+    
+    // Build transform registry
+    this.transforms = this.buildTransforms();
+  }
+  
+  // ===========================================================================
+  // Backend Interface Methods
+  // ===========================================================================
+  
+  /**
+   * Encode biological input to prime array
+   * Accepts: DNA, RNA, Protein sequences, FASTA format
+   */
+  encode(input) {
+    if (typeof input !== 'string') {
+      throw new Error('Input must be a string sequence');
+    }
+    
+    const inputType = encoding.detectSequenceType(input);
+    
+    switch (inputType) {
+      case 'DNA':
+        return encoding.encodeDNA(input);
+      case 'RNA':
+        return encoding.encodeRNA(input);
+      case 'PROTEIN':
+        return encoding.encodeProtein(input);
+      case 'FASTA':
+        return this.encodeFASTA(input);
+      default:
+        // Try each encoding and return first success
+        const dna = encoding.encodeDNA(input);
+        if (dna.length > 0) return dna;
+        const protein = encoding.encodeProtein(input);
+        if (protein.length > 0) return protein;
+        throw new Error(`Cannot encode input: ${input.slice(0, 50)}...`);
+    }
+  }
+  
+  /**
+   * Decode prime array back to biological sequence
+   */
+  decode(primes) {
+    if (!primes || primes.length === 0) {
+      return '';
+    }
+    
+    // Detect sequence type from prime range
+    const maxPrime = Math.max(...primes);
+    const minPrime = Math.min(...primes);
+    
+    // Nucleotide range: 2, 3, 5, 7, 11
+    if (maxPrime <= 11) {
+      // Check if RNA (has U=5) or DNA
+      if (primes.includes(5)) {
+        return encoding.decodeRNA(primes);
+      }
+      return encoding.decodeDNA(primes);
+    }
+    
+    // Amino acid range: 23-113
+    if (minPrime >= 23) {
+      return encoding.decodeProtein(primes);
+    }
+    
+    // Mixed - try protein first
+    return encoding.decodeProtein(primes);
+  }
+  
+  /**
+   * Convert primes to hypercomplex state vector
+   */
+  primesToState(primes) {
+    const state = Hypercomplex.zero(this.dimension);
+    
+    if (!primes || primes.length === 0) {
+      return state;
+    }
+    
+    const n = primes.length;
+    
+    for (let i = 0; i < n; i++) {
+      const p = primes[i];
+      const idx = this.primeToIndex(p);
+      
+      // Phase encodes position in sequence
+      const phase = (2 * Math.PI * i) / n;
+      
+      // Amplitude from prime value (normalized)
+      const amplitude = 1 / Math.sqrt(p);
+      
+      // Distribute across components using phase encoding
+      state.c[idx % this.dimension] += amplitude * Math.cos(phase);
+      state.c[(idx + 1) % this.dimension] += amplitude * Math.sin(phase);
+    }
+    
+    return state.normalize();
+  }
+  
+  /**
+   * Convert primes to oscillator frequencies
+   */
+  primesToFrequencies(primes) {
+    return primes.map(p => primeToFrequency(p, 1, 10));
+  }
+  
+  /**
+   * Apply a biological transform
+   */
+  applyTransform(inputPrimes, transform) {
+    switch (transform.type) {
+      case 'transcription':
+        return this.transcription.apply(inputPrimes);
+        
+      case 'translation':
+        const translationResult = this.translation.apply(inputPrimes);
+        return translationResult.success ? translationResult.protein : inputPrimes;
+        
+      case 'complement':
+        return this.transcription.complement(inputPrimes);
+        
+      case 'reverse_complement':
+        return this.transcription.reverseComplement(inputPrimes);
+        
+      case 'fold':
+        const foldResult = this.folding.fold(inputPrimes);
+        return foldResult.success ? foldResult.phases.map(p => Math.floor(p * 100)) : inputPrimes;
+        
+      case 'mutation':
+        return this.applyMutation(inputPrimes, transform);
+        
+      default:
+        return inputPrimes;
+    }
+  }
+  
+  /**
+   * Get available transforms
+   */
+  getTransforms() {
+    return this.transforms;
+  }
+  
+  /**
+   * Get prime list used by this backend
+   */
+  getPrimes() {
+    return this.config.primes;
+  }
+  
+  /**
+   * Get backend name
+   */
+  getName() {
+    return 'BioinformaticsBackend';
+  }
+  
+  // ===========================================================================
+  // Bioinformatics-Specific Methods
+  // ===========================================================================
+  
+  /**
+   * Full transcription: DNA → RNA
+   */
+  transcribe(dnaPrimes, options = {}) {
+    return this.transcription.transcribe(dnaPrimes, options);
+  }
+  
+  /**
+   * Full translation: RNA → Protein
+   */
+  translate(rnaPrimes, options = {}) {
+    return this.translation.apply(rnaPrimes, options);
+  }
+  
+  /**
+   * Express gene: DNA → RNA → Protein (full Central Dogma)
+   */
+  express(dnaPrimes, options = {}) {
+    // Transcribe
+    const rnaResult = this.transcription.transcribe(dnaPrimes, { force: true, ...options });
+    const rnaPrimes = rnaResult.success ? rnaResult.rna : this.transcription.apply(dnaPrimes);
+    
+    // Translate
+    const proteinResult = this.translation.apply(rnaPrimes, options);
+    
+    return {
+      success: proteinResult.success,
+      dna: dnaPrimes,
+      rna: rnaPrimes,
+      protein: proteinResult.protein,
+      length: proteinResult.length,
+      sequence: this.decode(proteinResult.protein)
+    };
+  }
+  
+  /**
+   * Fold protein: Protein primes → 3D structure
+   */
+  foldProtein(proteinPrimes, options = {}) {
+    return this.folding.fold(proteinPrimes);
+  }
+  
+  /**
+   * Compute binding affinity between two molecules
+   */
+  bindingAffinity(mol1Primes, mol2Primes) {
+    return this.affinityCalculator.computeAffinity(mol1Primes, mol2Primes);
+  }
+  
+  /**
+   * Dock two molecules
+   */
+  dock(receptorPrimes, ligandPrimes) {
+    return this.docker.dock(receptorPrimes, ligandPrimes);
+  }
+  
+  /**
+   * Screen ligand library
+   */
+  screenLigands(targetPrimes, ligandLibrary) {
+    return this.affinityCalculator.screenLibrary(targetPrimes, ligandLibrary);
+  }
+  
+  /**
+   * Calculate sequence similarity using prime resonance
+   */
+  similarity(primes1, primes2) {
+    const state1 = this.primesToState(primes1);
+    const state2 = this.primesToState(primes2);
+    
+    // Coherence as similarity measure
+    const n1 = state1.norm();
+    const n2 = state2.norm();
+    
+    if (n1 < 1e-10 || n2 < 1e-10) return 0;
+    
+    return Math.abs(state1.dot(state2)) / (n1 * n2);
+  }
+  
+  /**
+   * Align two sequences using oscillator synchronization
+   */
+  align(primes1, primes2) {
+    const freq1 = this.primesToFrequencies(primes1);
+    const freq2 = this.primesToFrequencies(primes2);
+    
+    // Simple alignment score based on frequency overlap
+    let alignmentScore = 0;
+    const minLen = Math.min(freq1.length, freq2.length);
+    
+    for (let i = 0; i < minLen; i++) {
+      const diff = Math.abs(freq1[i] - freq2[i]);
+      alignmentScore += 1 / (1 + diff);
+    }
+    
+    return {
+      score: alignmentScore / minLen,
+      length: minLen,
+      similarity: this.similarity(primes1, primes2)
+    };
+  }
+  
+  // ===========================================================================
+  // DNA Computing Methods
+  // ===========================================================================
+  
+  /**
+   * Create DNA strand
+   */
+  createDNAStrand(sequence, options = {}) {
+    return new dnaComputing.DNAStrand(sequence, options);
+  }
+  
+  /**
+   * Create AND gate
+   */
+  createANDGate(options = {}) {
+    return new dnaComputing.ANDGate(options);
+  }
+  
+  /**
+   * Create OR gate
+   */
+  createORGate(options = {}) {
+    return new dnaComputing.ORGate(options);
+  }
+  
+  /**
+   * Create NOT gate
+   */
+  createNOTGate(options = {}) {
+    return new dnaComputing.NOTGate(options);
+  }
+  
+  /**
+   * Create DNA circuit
+   */
+  createCircuit(name = 'circuit') {
+    return new dnaComputing.DNACircuit(name);
+  }
+  
+  /**
+   * Simulate strand displacement
+   */
+  simulateStrandDisplacement(options) {
+    const reaction = new dnaComputing.StrandDisplacementReaction(options);
+    return reaction.simulate(options.time || 1.0, options.dt || 0.001);
+  }
+  
+  // ===========================================================================
+  // Helper Methods
+  // ===========================================================================
+  
+  /**
+   * Map prime to dimension index
+   */
+  primeToIndex(prime) {
+    const primeList = this.config.primes;
+    const idx = primeList.indexOf(prime);
+    return idx >= 0 ? idx : prime % this.dimension;
+  }
+  
+  /**
+   * Build combined prime list
+   */
+  buildPrimeList() {
+    const primes = new Set();
+    
+    // Add nucleotide primes
+    Object.values(encoding.NUCLEOTIDE_PRIMES).forEach(p => primes.add(p));
+    
+    // Add amino acid primes
+    Object.values(encoding.AMINO_ACID_PRIMES).forEach(p => primes.add(p));
+    
+    return [...primes].sort((a, b) => a - b);
+  }
+  
+  /**
+   * Build transform registry
+   */
+  buildTransforms() {
+    return [
+      { type: 'transcription', name: 'DNA→RNA', n: 'transcription' },
+      { type: 'translation', name: 'RNA→Protein', n: 'translation' },
+      { type: 'complement', name: 'DNA complement', n: 'complement' },
+      { type: 'reverse_complement', name: 'Reverse complement', n: 'reverse_complement' },
+      { type: 'fold', name: 'Protein folding', n: 'fold' },
+      { type: 'mutation', mutationType: 'point', name: 'Point mutation', n: 'point_mutation' },
+      { type: 'mutation', mutationType: 'insertion', name: 'Insertion', n: 'insertion' },
+      { type: 'mutation', mutationType: 'deletion', name: 'Deletion', n: 'deletion' },
+    ];
+  }
+  
+  /**
+   * Apply mutation transform
+   */
+  applyMutation(primes, transform) {
+    const pos = transform.position || 0;
+    
+    switch (transform.mutationType) {
+      case 'point':
+        const newPrimes = [...primes];
+        if (pos < newPrimes.length) {
+          newPrimes[pos] = transform.value || this.nucleotidePrimes['A'];
+        }
+        return newPrimes;
+        
+      case 'insertion':
+        const insertPrimes = transform.insertPrimes || [this.nucleotidePrimes['A']];
+        return [
+          ...primes.slice(0, pos),
+          ...insertPrimes,
+          ...primes.slice(pos)
+        ];
+        
+      case 'deletion':
+        const deleteLength = transform.length || 1;
+        return [
+          ...primes.slice(0, pos),
+          ...primes.slice(pos + deleteLength)
+        ];
+        
+      default:
+        return primes;
+    }
+  }
+  
+  /**
+   * Encode FASTA format
+   */
+  encodeFASTA(input) {
+    const entries = encoding.parseFASTA(input);
+    
+    if (entries.length === 0) {
+      throw new Error('Invalid FASTA format');
+    }
+    
+    // Encode first entry
+    const entry = entries[0];
+    const type = encoding.detectSequenceType(entry.sequence);
+    
+    switch (type) {
+      case 'DNA':
+        return encoding.encodeDNA(entry.sequence);
+      case 'RNA':
+        return encoding.encodeRNA(entry.sequence);
+      case 'PROTEIN':
+        return encoding.encodeProtein(entry.sequence);
+      default:
+        return encoding.encodeDNA(entry.sequence);
+    }
+  }
+  
+  /**
+   * Get amino acid properties
+   */
+  getAminoAcidProperties(aa) {
+    return encoding.getAminoAcidProperties(aa);
+  }
+  
+  /**
+   * Get codon usage statistics
+   */
+  calculateCAI(sequence) {
+    return geneticCode.calculateCAI(sequence);
+  }
+  
+  /**
+   * Get GC content
+   */
+  calculateGCContent(sequence) {
+    return geneticCode.calculateGCContent(sequence);
+  }
+}
+
+// Export everything
+module.exports = {
+  // Main backend
+  BioinformaticsBackend,
+  
+  // Encoding
+  ...encoding,
+  
+  // Genetic code
+  ...geneticCode,
+  
+  // Operators
+  TranscriptionOperator,
+  TranslationOperator,
+  FoldingTransform,
+  
+  // Binding
+  BindingAffinityCalculator: binding.BindingAffinityCalculator,
+  MolecularDocker: binding.MolecularDocker,
+  ProteinProteinDocker: binding.ProteinProteinDocker,
+  
+  // DNA Computing
+  DNAStrand: dnaComputing.DNAStrand,
+  DNADuplex: dnaComputing.DNADuplex,
+  ANDGate: dnaComputing.ANDGate,
+  ORGate: dnaComputing.ORGate,
+  NOTGate: dnaComputing.NOTGate,
+  NANDGate: dnaComputing.NANDGate,
+  SeesawGate: dnaComputing.SeesawGate,
+  StrandDisplacementReaction: dnaComputing.StrandDisplacementReaction,
+  DNACircuit: dnaComputing.DNACircuit,
+  createHalfAdder: dnaComputing.createHalfAdder,
+  createFullAdder: dnaComputing.createFullAdder,
+};