scientific-toolkit

A comprehensive Node.js scientific computation framework with plugin system, CLI interface, and extensive API for scientists, engineers, and researchers. Features domain-specific plugins for astrophysics and bioinformatics, LaTeX export, and interactive examples.

Features

Core Mathematics

• Complex Numbers: Arithmetic operations, square root, trigonometric functions
• Linear Algebra: Matrix multiplication, determinant calculation, Gaussian elimination
• Calculus: Numerical derivatives (central difference), integrals (Simpson's rule, trapezoid)

Numerical Methods

• Root Finding: Newton-Raphson method with numerical/analytical derivatives
• ODE Solvers: Euler and 4th-order Runge-Kutta for initial value problems
• Numerical Differentiation & Integration: Flexible step-size control

Vector Calculus

• Gradient: Numerical gradient of scalar fields
• Divergence: Vector field divergence computation
• Curl: Curl operator for 3D vector fields

Regression & Fitting

• Linear Regression: Least squares with R² calculation
• Polynomial Fitting: Arbitrary degree fitting with normal equations

Engineering Modules

• Circuit Analysis: Ohm's law solver, RLC impedance calculations with complex numbers
• Stoichiometry: Molar mass parser, theoretical yield calculations, chemical reactions

Statistical Distributions

• Normal Distribution: PDF and CDF with configurable mean/std dev
• Poisson Distribution: PMF for rare event modeling
• Binomial Distribution: PMF for counting successes

Advanced Features

• Plugin System: Extensible architecture for domain-specific formulas
  • Astrophysics plugin: Orbital mechanics, black holes, cosmology
  • Bioinformatics plugin: Sequence analysis, population genetics
• LaTeX Export: Convert equations, matrices, and results to LaTeX format
• CLI Interface: Command-line access to all toolkit functionality
• Unit Conversion: Dimensional analysis with automatic unit conversion

Development & Deployment

• Code Quality: ESLint (v8) + Prettier formatting
• Testing: Jest with 100+ test cases and coverage reporting
• CI/CD: GitHub Actions with Node.js 16/18/20 matrix
• Documentation: TypeDoc API docs, comprehensive tutorials, example scripts

Installation

npm install scientific-toolkit

For global CLI use:

npm install -g scientific-toolkit

Quick Start

Node.js API

const toolkit = require('scientific-toolkit');

// Complex numbers
const a = new toolkit.core.Complex(2, 3);
const b = new toolkit.core.Complex(4, -1);
console.log(a.mul(b).toString()); // 11.000000+10.000000i

// Plugins for domain-specific formulas
const { plugins } = toolkit;
const manager = new plugins.PluginManager();
manager.register(plugins.builtin.astrophysics);

// Astrophysics: orbital velocity
const v = manager.executeFormula('astrophysics', 'orbitalVelocity', 1.989e30, 1.496e11);
console.log(v); // ~29,815 m/s

// LaTeX export
const { latex } = toolkit;
const latexExporter = latex.LaTeXExporter;
console.log(latexExporter.formatResult('v', v, 'm/s', 2));
// $ v = 29815.00 \, \text{m/s} $

CLI Usage

# Complex number operations
scientific-toolkit complex add 1 2 3 4
scientific-toolkit complex mul 2 3 4 -1

# Matrix operations
scientific-toolkit matrix det "[[1,2],[3,4]]"

# Numerical methods
scientific-toolkit calculus integral "Math.sin(x)" 0 3.14159 1000

# Probability
scientific-toolkit probability normal-pdf 0 0 1

# Units
scientific-toolkit convert 36 km/h m/s

Examples

Run practical examples for scientists and engineers:

node examples/orbital-mechanics.js
node examples/bioinformatics-analysis.js
node examples/numerical-methods.js
node examples/engineering-analysis.js

See examples/README.md for detailed documentation.

API Documentation

Complete API reference:

npm run docs

Generates TypeDoc documentation in docs/api/.

Development

npm install
npm run lint          # ESLint + Prettier
npm run format        # Auto-fix formatting
npm test              # Jest with coverage
npm run coverage      # Generate coverage report
npm run docs          # Generate TypeDoc API docs

Plugin System

Built-in Plugins

Astrophysics Plugin

const manager = new plugins.PluginManager();
manager.register(plugins.builtin.astrophysics);

manager.executeFormula('astrophysics', 'orbitalVelocity', M, r);
manager.executeFormula('astrophysics', 'escapeVelocity', M, R);
manager.executeFormula('astrophysics', 'schwarzschildRadius', M);
manager.executeFormula('astrophysics', 'dopplerRedshift', lambda_0, v);
manager.executeFormula('astrophysics', 'stellarTemperature', L, R);

Bioinformatics Plugin

const manager = new plugins.PluginManager();
manager.register(plugins.builtin.bioinformatics);

manager.executeFormula('bioinformatics', 'gcContent', sequence);
manager.executeFormula('bioinformatics', 'transcribeDNA', dnaSeq);
manager.executeFormula('bioinformatics', 'reverseComplement', seq);
manager.executeFormula('bioinformatics', 'hardyWeinbergFrequencies', p);

Creating Custom Plugins

const { plugins } = toolkit;
const { Plugin, PluginManager } = plugins;

const myPlugin = new Plugin('myPlugin', '1.0.0', 'My domain formulas', {});
myPlugin.registerFormula('myFormula', (x, y) => x + y * 2, {
  description: 'My custom formula',
  params: [{ name: 'x' }, { name: 'y' }],
  returns: 'x + 2y',
});

const manager = new PluginManager();
manager.register(myPlugin);
const result = manager.executeFormula('myPlugin', 'myFormula', 5, 3); // 11

LaTeX Export

Convert calculations to publication-ready LaTeX:

const { latex } = toolkit;
const exp = latex.LaTeXExporter;

// Expressions
console.log(exp.expressionToLatex('sqrt(x) + pi*r^2'));

// Results
console.log(exp.formatResult('E', 3.14159, 'J', 5));

// Matrices
const matrix = [
  [1, 2],
  [3, 4],
];
console.log(exp.matrixToLatex(matrix, 'bmatrix'));

// Equations
console.log(exp.createEquation('E = mc^2', 'equation', 'einstein'));

// Documents
const content = 'My calculations...';
console.log(
  exp.createDocument(content, {
    title: 'Scientific Report',
    author: 'Jane Doe',
  })
);

CI/CD Pipeline

GitHub Actions

• CI Workflow (.github/workflows/ci.yml)
  • Runs on PR and push to main
  • Tests on Node.js 16, 18, 20
  • Coverage upload to Codecov
• Publish Workflow (.github/workflows/publish.yml)
  • Runs on GitHub release
  • Publishes to npm registry

Required Secrets

• NPM_TOKEN: npm publish automation token

Conventional Commits

Follow clean, atomic commit patterns:

• feat(plugins): add plugin system with astrophysics and bioinformatics
• feat(latex): implement LaTeX export for equations and results
• test: add integration tests for plugins and LaTeX export
• docs: add examples and API documentation
• ci: configure GitHub Actions for docs deployment

Tutorials

• ODE Solver Tutorial: Solving differential equations
• Regression Fitting Tutorial: Curve fitting workflows
• Examples Directory: Practical use cases for scientists and engineers

Contributing

See CONTRIBUTING.md for guidelines.

Code of Conduct

See CODE_OF_CONDUCT.md.

License

MIT License - see LICENSE for details.