Closed cthoyt closed 2 years ago
any chance we would load , train and essentially test our own dataset ?
@aminemosbah I would suggest looking at https://chemicalx.readthedocs.io/en/latest/api/chemicalx.data.LocalDatasetLoader.html#chemicalx.data.LocalDatasetLoader for loading your own dataset that's already in the right format in a given directory
thx, but i have smiles to predict in a csv file to predict locally , any quick snippet ?
@aminemosbah I have in mind a solution for what you want (which is the obvious realistic use case) but this it is blocked #50 and #58. @benedekrozemberczki would love to get your input on #50 ;)
need to hack the dataloader to make it work for local data
Summary
This PR abstracts the essential components of the dataset loader into a base class to allow for future implementations of eager datasets (e.g., all parts of the dataset are already in memory) and for other lazy local dataset loaders.
Changes
RemoteDatasetLoader
Next steps
The following shows an implementation of an eager dataset, which might be more useful for local datasets.