RetroPrime
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Code for Single-step Retrosynthesis model Retroprime
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Hello! When I run the run_example.sh script, it gives me a FileNotFoundError. Could you please let me know where I can obtain the files USPTO-50K_pos_pred_model_step_90000.pt and USPTO-50K_S2R_model_step_100000.pt? Thank you very...
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Hi I am trying to see the results with our dataset when the reaction type is unknown. Therefore, I want to know which parameter is related to reaction type when...
i would like to reproduce the result in the uspto-full dataset, but got some problems here: the accuracy of P2S drops rapidly. i have trained over 50,000 steps and the...
Opening this as more of a note to future readers. The current Anaconda environment setup instructions fail to solve for me and after much experimentation I was able to get...