MasterLucas

Dear ANI developers, I have a question about the normal mode sampling you developed in the first ANI paper. First, is the code in the GitHub repository, I couldn't find...

Testing a trained model

4

Dear Sir/ Madam, I have been having some problems loading and testing a trained model. I trained a set of models in one job and saved their checkpoints, but when...

Error when testing my model using config files

1

Dear Schnetpack developers, I'm encountering this issue when testing my model using a config.yaml file ``` Traceback (most recent call last): File "/projappl/bandeira/schnet_env/lib64/python3.12/site-packages/schnetpack/cli.py", line 179, in train trainer.test(model=task, datamodule=datamodule, ckpt_path="best")...