This directory contains the scripts to run the local optimization.
Steps to run:
- run run_local_latent_search.py
- translate the resultant tokenized reactants through the Molecular Transformer eg by:
python translate.py -model <transformer-weight-path>> \
-src <path-to-tokenized-reactants> \
-output <path-for-tokenized-products> \
-batch_size 300 -replace_unk -max_length 500 -fast -gpu 1 -n_best 5
- Run
plot_results.py
.