chemprop_model details

[gdev7]

python finetune_generator.py --train ${ACTIVE_MOLECULES} --vocab data/chembl/vocab.txt --generative_model ckpt/chembl-pretrained/model.ckpt --chemprop_model ${YOUR_PROPERTY_PREDICTOR} --min_similarity 0.1 --max_similarity 0.5 --nsample 10000 --epoch 10 --threshold 0.5 --save_dir ckpt/finetune

The details about "chemprop_model" is not given properly. Is it related to chemprop python package? chemprop python package can train a model for property prediction. However I could not find a way to save the model which I could use in here.

Thanks
Prosun

[kevingreenman]

Found this issue while responding to a similar question on the chemprop repo. Hopefully that helps if you were still wondering this.

[orubaba]

Hi, I have a question on ${ACTIVE_MOLECULES}. is it smile.txt file or what should the list look like?