atomliteΒΆ

A SQLite chemical database.

Module attributes

Json

A JSON value.

Functions

json_from_rdkit

Create a JSON representation of an rdkit molecule.

json_to_rdkit

Create an rdkit molecule from a JSON representation.

Classes

AromaticBonds

JSON representation of aromatic bonds.

Bonds

JSON representation of bonds.

Database

A molecular SQLite database.

Entry

A database entry.

Molecule

A JSON molecule.

PropertyEntry

A database property entry.