Getting Started

Choose your platform to get started with sci-form.

Rust

cargo add sci-form

fn main() {
    let result = sci_form::embed("CCO", 42);
    if let Some(err) = &result.error {
        eprintln!("Error: {}", err);
        return;
    }
    println!("Ethanol: {} atoms", result.num_atoms);
    for i in 0..result.num_atoms {
        let x = result.coords[i * 3];
        let y = result.coords[i * 3 + 1];
        let z = result.coords[i * 3 + 2];
        println!("  Atom {}: ({:.3}, {:.3}, {:.3})", result.elements[i], x, y, z);
    }
}

→ See the Rust guide for full API details.

Python

The package is published as sciforma on PyPI. The import name is sci_form.

pip install sciforma

import sci_form

result = sci_form.embed("c1ccccc1")  # benzene, seed=42 default
print(f"Atoms: {result.num_atoms}, Time: {result.time_ms:.1f}ms")

for i, (x, y, z) in enumerate(result.get_positions()):
    print(f"  {result.elements[i]:2d}: ({x:7.3f}, {y:7.3f}, {z:7.3f})")

→ See the Python guide for full API details.

TypeScript / JavaScript

The npm package is sci-form-wasm.

npm install sci-form-wasm

Node.js (CommonJS)

const sci = require('sci-form-wasm');
const result = JSON.parse(sci.embed('CC(=O)O', 42));  // acetic acid
console.log(`Atoms: ${result.num_atoms}`);

ES Module / TypeScript

import init, { embed } from 'sci-form-wasm';
await init();
const result = JSON.parse(embed('CC(=O)O', 42));
console.log(`Atoms: ${result.num_atoms}`);

→ See the TypeScript guide for full API details.

CLI

Download from GitHub Releases or build from source:

cargo install sci-form-cli

# Single molecule → XYZ format
sci-form embed "CCO" --format xyz

# Batch processing
sci-form batch -i molecules.smi -o output.sdf --format sdf --threads 8

# Parse SMILES (no 3D generation)
sci-form parse "c1ccccc1"

→ See the CLI guide for all commands and options.

→ See the [CLI guide](/guide/cli) for all subcommands.