issue with get_training_data

[longlongman]

issue with get_training_data

[orgw]

fixed after inserting your provided vocab file. After examinig the vocab.pkl file i made, it seems that it only has mol as value. What would be the error

[orgw]

i have a few more questions... thanks you for answering beforehand.
1.in shape pretraining what's no_regression meaning?
2. what's shard and pocket??
3. why is there a vocab path per training, valid, and test? in the link there's only one vocab pickle file
thanks

[longlongman]

Some questions are not so clear (maybe give me more details), thus I can only answer the following questions:

Q: in shape pretraining what's no_regression meaning?
A: As mentioned In appendix 1.2 and 2.2, we discretize two continuous variables (translation vector and rotation quaternion) and convert the regression problem to a classification problem. 'no_regression' means none of these two variables are handled as a regression problem.

Q: What's the shard and pocket?
A: A shard is a slice (500K molecules) of the total dataset (100M molecules). Because the total dataset is too large, we can only train the model one shard at a time. The pocket is the terminology of protein science, which stands for a local protein region drugs binding to.

Q: Why is there a vocab path per training, valid, and test? in the link there's only one vocab pickle file
A: They (training, valid, and test) share the same vocabulary.