chemprop.interpret.py uses a Monte Carlo Tree Search to interpret trained Chemprop models by identifying substructures of a molecule which are primarily responsible for Chemprop's prediction.
.. automodule:: chemprop.interpret :members:
chemprop.interpret.py uses a Monte Carlo Tree Search to interpret trained Chemprop models by identifying substructures of a molecule which are primarily responsible for Chemprop's prediction.
.. automodule:: chemprop.interpret :members: