mol docking with maize in REINVENT 4

[gustavoac83lbcd]

I'm trying to use "staged_learning" with docking score in REIVENT 4. However, I am getting a persistent error (please see below). Anyone could you help me out regarding this issue?

File "D:\clm\REINVENT4\maize-contrib\maize\run.py", line 62, in
main()
File "D:\clm\REINVENT4\maize-contrib\maize\run.py", line 45, in main
flow = Workflow.from_dict(workflow_data)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "D:\clm\REINVENT4\maize-contrib\maize\core\workflow.py", line 433, in from_dict
graph.add(**init_data, component=node_type)
File "D:\clm\REINVENT4\maize-contrib\maize\core\graph.py", line 448, in add
comp = component(parent=self, name=name, **kwargs)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "D:\clm\REINVENT4\maize-contrib\maize\steps\mai\misc\reinvent.py", line 642, in init
super().init(**kwargs)
File "D:\clm\REINVENT4\maize-contrib\maize\core\node.py", line 174, in init
self.check()
File "D:\clm\REINVENT4\maize-contrib\maize\core\node.py", line 231, in check
raise NodeBuildException(f"Node {self.name} requires at least one port")
maize.core.node.NodeBuildException: Node smiles requires at least one port

[halx]

Have you had a look into issue #5 to see if there is useful information there?

Unfortunately, we do not have a maintainer for maize at AZ at the moment so responses can be slow and sparse.