**Interfaces are available to the following quantum packages:**
* [ADF](https://www.scm.com/)
* [CP2K](https://www.cp2k.org/)
* [DFTB](https://www.scm.com/) (as implemented in the ADF simulation suite)
* [DIRAC](http://www.diracprogram.org/doku.php)
* [GAMESS-US](http://www.msg.ameslab.gov/gamess/)
* [ORCA](https://orcaforum.cec.mpg.de/)
**Features:**
* Introducing the [molkit](https://github.com/SCM-NV/qmworks/blob/master/qmworks/molkit.py) molecule manipulation suit (based on [RDKit](http://www.rdkit.org/)).
* Dependencies between computations is handled using the [noodles](http://nlesc.github.io/noodles/) library.
* Execution of the quantum packages is done by the [Plams](https://github.com/SCM-NV/PLAMS) library.
* Sets of defaults are defined as [templates](https://github.com/SCM-NV/qmworks/tree/master/qmworks/data/templates) to generate input.
**Technical notes:**
* Atom numbering starts from `1`.
* Python >= 3.5 is required.
* Quantum packages are assumed to be installed and reachable.