I'm very interested in your work and think it is excellent work. I have a question about how the mu (1.5) and sigma (0.5) in the scoring_define.csv file of the latent_distance were obtained. The SMILES of MTOR is embedded into the chemical space with pretrain_vae_model.pt, and then the mu and sigma of the Euclidean distance between the corresponding point of each SMILES and the nearest 20 points around it (or any other point) are calculated. If not, please tell me how to get the correct mu and sigma.
I would appreciate it if you could answer my questions.
I'm very interested in your work and think it is excellent work. I have a question about how the mu (1.5) and sigma (0.5) in the scoring_define.csv file of the latent_distance were obtained. The SMILES of MTOR is embedded into the chemical space with pretrain_vae_model.pt, and then the mu and sigma of the Euclidean distance between the corresponding point of each SMILES and the nearest 20 points around it (or any other point) are calculated. If not, please tell me how to get the correct mu and sigma. I would appreciate it if you could answer my questions.