About yml files

[13811883561]

Hi, I read your article on MIC prediction of COE molecules and I am interested in trying to implement your paper with a class of molecules I have. But I have a problem in the environment configuration. I found that some of the packages in the yml file you provided are for Linux only, and I am using MacOS. I would like to know if I delete these four packages in the environment file, will it have any effect on my subsequent training?

Looking forward to getting your answer!
Good luck!

[TadaSanar]

Hi, these packages should not be necessary for the subsequent training if you want to try it immediately. I will also prepare the installation instructions for the minimum working environment, they should be ready late this week or early next week. I will upload at the same time also some minor version updates. Let me know if there's anything else I can help with.

[13811883561]

Hi, these packages should not be necessary for the subsequent training if you want to try it immediately. I will also prepare the installation instructions for the minimum working environment, they should be ready late this week or early next week. I will upload at the same time also some minor version updates. Let me know if there's anything else I can help with.

Thank you for your reply, I have started trying to run your code on my computer. I have another question about data handling. I found that the alvaDesc software exports in txt format, while in your program it imports in xlsx file. I would like to know if the code column in sheet SMILES has any special meaning?Also I found that you have divided the exported feature values in alvaDesc into 6 sheets, is this division random or does it have any special meaning?