Thanks to the great open-source contributions! When I tried to load a pre-trained model ('checkpoints/graph_dit/last.ckpt') to continue training, an issue arose. This problem does not occur when training without loading a pre-trained model. I checked the code logic and couldn't find the issue. The problem seems to be due to the generation of invalid molecules, but the generated molecules are within the 'valid' category, which is contradictory.
DataStructs.ConvertToNumpyArray(features_vec, features)
ValueError: Expecting a Numeric array object
Set the environment variable HYDRA_FULL_ERROR=1 for a complete stack trace.
Thanks to the great open-source contributions! When I tried to load a pre-trained model ('checkpoints/graph_dit/last.ckpt') to continue training, an issue arose. This problem does not occur when training without loading a pre-trained model. I checked the code logic and couldn't find the issue. The problem seems to be due to the generation of invalid molecules, but the generated molecules are within the 'valid' category, which is contradictory.
ValueError: Expecting a Numeric array object
Set the environment variable HYDRA_FULL_ERROR=1 for a complete stack trace.