Syntheseus retro star benchmark data

This is the supporting dataset for the syntheseus retro star benchmark (code). This data was originally published by Chen et al (2020) as part of the retro* paper, supported by code here. However, the models and datasets to support this code are only available from a Dropbox link. To ensure access into the future, I have uploaded and renamed some important files here (in accordance with the original MIT license).The renamed files are:190-hard-test-routes.pkl (originally called "routes_possible_test_hard.pkl") contains the test molecules and some synthesis routespretrained-reaction-model.ckpt (originally "saved_rollout_state_1_2048.ckpt") is the weights for the template-classification reaction model)value-function-checkpoint.pt (originally "best_epoch_final_4.pt") is the weights for the learned value functionORIGINAL-inventory.csv.gz (originally "origin_dict.csv") is the list of purchasable moleculestemplate_rules_1.dat is the list of templates.