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Description
Currently, all the dependencies for all models have to be installed for chebifier to run. This is not ideal, especially since not every user might be interested in all models and some dependencies might be difficult to install.
Current workflow
- install chebifier with all dependencies
- select model in the config file
- run predictions
Workflow after this issue
- install base version of chebifier (this will include some models that are easy to install, e.g. the chebi lookup or chemlog)
- run predictions and get an error message like "You specified a GNN in your config, but chebai-graph is not installed. To install it, follow the instructions at ..."
- EITHER remove GNNs from the config file OR install chebai-graph (or other libraries for other models)
- run predictions