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# Haybarn extension: `ducksmiles`

Cheminformatics toolkit for DuckDB - SMILES, InChI, MOL/SDF, PDB, SELFIES, Wildman-Crippen LogP, Morgan/ECFP fingerprints, and Tanimoto similarity from SQL

> **Source:** [https://github.com/nkwork9999/duckSMILES](https://github.com/nkwork9999/duckSMILES)  
> **Catalog:** [Haybarn community extensions](https://github.com/Query-farm-haybarn/haybarn-community-extensions)

## Install

```sh
npm install @haybarn/ext-ducksmiles-h1-5-3
# or use the exact version:
npm install @haybarn/ext-ducksmiles-h1-5-3@202606.7.123339
```

npm picks the matching platform binary from the leaves below via its `os` / `cpu` / `libc` fields. No postinstall scripts, no network calls after `npm install`.

## Available platforms (this version)

Installed automatically by `npm install @haybarn/ext-ducksmiles-h1-5-3` (npm picks the one matching your `os`/`cpu`/`libc`):

- `@haybarn/ext-ducksmiles-h1-5-3-win32-x64`
- `@haybarn/ext-ducksmiles-h1-5-3-linux-x64`
- `@haybarn/ext-ducksmiles-h1-5-3-darwin-arm64`
- `@haybarn/ext-ducksmiles-h1-5-3-darwin-x64`
- `@haybarn/ext-ducksmiles-h1-5-3-linux-arm64`

## WebAssembly (duckdb-wasm)

Also built for [duckdb-wasm](https://github.com/duckdb/duckdb-wasm). These are **not** installed by the meta above (npm has no wasm `os`/`cpu` to match) — install the variant matching your duckdb-wasm bundle (`mvp` / `eh` / `threads`) and point duckdb-wasm at the bundled asset:

- `@haybarn/ext-ducksmiles-h1-5-3-wasm-mvp`
- `@haybarn/ext-ducksmiles-h1-5-3-wasm-eh`
- `@haybarn/ext-ducksmiles-h1-5-3-wasm-threads`

```sh
npm install @haybarn/ext-ducksmiles-h1-5-3-wasm-mvp
```
```js
import extUrl from '@haybarn/ext-ducksmiles-h1-5-3-wasm-mvp/bin/ducksmiles.duckdb_extension.wasm?url';
await conn.query(`INSTALL ducksmiles FROM '${extUrl}'`);
await conn.query(`LOAD ducksmiles`);
```

## Use it

Once installed, the `.duckdb_extension` binary lands in your project's `node_modules/` tree under the matching leaf. The [Haybarn](https://github.com/Query-farm-haybarn/haybarn) engine auto-discovers it at startup; from a Haybarn SQL session:

```sql
LOAD ducksmiles;
```

## License

The `ducksmiles` extension is distributed under **MIT**. The Haybarn engine itself is MIT-licensed.

## Trademark

Haybarn is an independent derived distribution of DuckDB published by [Query Farm LLC](https://query.farm). Not affiliated with or endorsed by the DuckDB Foundation. DuckDB is a trademark of the DuckDB Foundation.