CommonChem

CommonChem is a data format for chemical information.

Here is a simple example:

{
  "commonchem": 10,
  "molecules": [
    {
      "name": "ethane",
      "atoms": [
        {"z": 6, "impHs": 3},
        {"z": 6, "impHs": 3}
      ],
      "bonds": [
        {"type": 1, "atoms": [0, 1]}
      ]
    }
  ]
}

Find more example files in the examples directory.

Specification

The core specification is in the file spec.md.

JSON Schema

The schema directory contains a JSON Schema for CommonChem.

Extensions

There are a number of extension specifications in the extensions directory.

Implementations

• RDKit has beta support as of the 2018.03.1 release. Find it under MolInterchange.
• Open Babel support is planned.