Documentation in progress. See contrib.examples.basic_usage_example.py
for a basic usage example.
Requires selfies
and rdkit
to be installed.
rdkit can be installed on Ubuntu 18.04 using the provided script:
https://github.com/cyclica/rdkit-installer
Source that environment once created, then you may install deriver using pip: pip install deriver
, or by cloning this
repo and from the cloned directory running: pip install -e .
- implement a random SELIFES generator method
- create a molecule object that can be passed around