Added a flag to use previously calculated features to compute embeddings

ATOMScience-org / AMPL

The ATOM Modeling PipeLine (AMPL) is an open-source, modular, extensible software pipeline for building and sharing models to advance in silico drug discovery.

MIT License

136 stars 68 forks source link

Added a flag to use previously calculated features to compute embeddings #296

Closed stewarthe6 closed 5 months ago

stewarthe6 commented 5 months ago

I added a boolean flag parameter to use previously calculated features when using an embedding model. This speeds up embedding models.

stewarthe6 commented 5 months ago

This should be changed to use the same logic as 'previously_featurized' and look for the 'scaled_descriptors' folder. Otherwise you will need to copy and rename to split uuid file to match name of the featurized data file.