[QUESTION]: Errors during MPNN Model Training

[stream0426]

Hello,

I am currently using MolPAL with PyTorch Lightning to train an MPN model using the following command:
molpal run --output-dir output --write-intermediate --write-final --retrain-from-scratch --library library/molecule.csv --smiles-col 0 --metric greedy --init-size 50 --batch-sizes 50 --model mpn --fingerprint pair --length 2048 --radius 2 --objective lookup --objective-config objective/molecule.ini --top-k 50 --window-size 10 --delta 0.001 --max-iters 10 --seed 2024 --model-seed 2024

However, while running this command, I encountered the following error trace:
File "/home/hiroyuki/anaconda3/envs/molpal/bin/molpal", line 8, in
sys.exit(main())
File "/home/hiroyuki/app/molpal/molpal/cli/main.py", line 24, in main
func(args)
File "/home/hiroyuki/app/molpal/molpal/cli/run.py", line 60, in main
explorer.run()
File "/home/hiroyuki/app/molpal/molpal/explorer.py", line 328, in run
self.explore_batch()
File "/home/hiroyuki/app/molpal/molpal/explorer.py", line 403, in explore_batch
self.fit_model()
File "/home/hiroyuki/app/molpal/molpal/explorer.py", line 726, in fit_model
self.model.train(
File "/home/hiroyuki/app/molpal/molpal/models/mpnmodels.py", line 320, in train
return self.model.train(xs, ys)
File "/home/hiroyuki/app/molpal/molpal/models/mpnmodels.py", line 197, in train
trainer.fit(lit_model, train_dataloader, val_dataloader)
File "/home/hiroyuki/anaconda3/envs/molpal/lib/python3.8/site-packages/pytorch_lightning/trainer/trainer.py", line 543, in fit
call._call_and_handle_interrupt(
File "/home/hiroyuki/anaconda3/envs/molpal/lib/python3.8/site-packages/pytorch_lightning/trainer/call.py", line 44, in _call_and_handle_interrupt
return trainer_fn(*args, **kwargs)
File "/home/hiroyuki/anaconda3/envs/molpal/lib/python3.8/site-packages/pytorch_lightning/trainer/trainer.py", line 579, in _fit_impl
self._run(model, ckpt_path=ckpt_path)
File "/home/hiroyuki/anaconda3/envs/molpal/lib/python3.8/site-packages/pytorch_lightning/trainer/trainer.py", line 986, in _run
results = self._run_stage()
File "/home/hiroyuki/anaconda3/envs/molpal/lib/python3.8/site-packages/pytorch_lightning/trainer/trainer.py", line 1028, in _run_stage
self._run_sanity_check()
File "/home/hiroyuki/anaconda3/envs/molpal/lib/python3.8/site-packages/pytorch_lightning/trainer/trainer.py", line 1057, in _run_sanity_check
val_loop.run()
File "/home/hiroyuki/anaconda3/envs/molpal/lib/python3.8/site-packages/pytorch_lightning/loops/utilities.py", line 182, in _decorator
return loop_run(self, *args, **kwargs)
File "/home/hiroyuki/anaconda3/envs/molpal/lib/python3.8/site-packages/pytorch_lightning/loops/evaluation_loop.py", line 135, in run
self._evaluation_step(batch, batch_idx, dataloader_idx, dataloader_iter)
File "/home/hiroyuki/anaconda3/envs/molpal/lib/python3.8/site-packages/pytorch_lightning/loops/evaluation_loop.py", line 410, in _evaluation_step
call._call_callback_hooks(trainer, hook_name, output, *hook_kwargs.values())
File "/home/hiroyuki/anaconda3/envs/molpal/lib/python3.8/site-packages/pytorch_lightning/trainer/call.py", line 210, in _call_callback_hooks
fn(trainer, trainer.lightning_module, *args, **kwargs)
TypeError: on_validation_batch_end() missing 1 required positional argument: 'dataloader_idx'

Could you kindly assist in resolving this issue? I would appreciate any guidance on what might be causing this error and how to proceed.

Thank you in advance for your support!

Best regards