I am a student who is studying your code. I have some questions.
If I look at the end of your 'JAK2-demo.ipync' code,
'while (jak2_compounds) = 1000):
sm = my_generator.evaluate(gen_data, tempperature=0.5) [1:-1]
clean_sm, pred, nan_sm = jak2_predictor.preferred valu
if Len(clean_sm) > 0 and red[0] = 0.8: #probably greater than 0.8
jak2_compounds += clean_sm
save_smi_to_file('/generated_compounds/test_ask1/' + str(i+1) + '.txt', jak2_compounds)'
The gen_data that is applied to the 'my_generator.evalute' function is a file about the Chemlb 22 data base. However, the last file you save is called jak2_compounds.
If the last part creates a new jak2_compounds through fine tuning, I think the data used for gen_data should contain jak2 data rather than chemlb data.
I'd like to politely ask if I'm right.
Also, I want to know which part of the code is doing fine_tuning. I'm studying a lot thanks to you. I would appreciate your reply.
Hello!
I am a student who is studying your code. I have some questions. If I look at the end of your 'JAK2-demo.ipync' code,
'while (jak2_compounds) = 1000): sm = my_generator.evaluate(gen_data, tempperature=0.5) [1:-1]
clean_sm, pred, nan_sm = jak2_predictor.preferred valu if Len(clean_sm) > 0 and red[0] = 0.8: #probably greater than 0.8 jak2_compounds += clean_sm save_smi_to_file('/generated_compounds/test_ask1/' + str(i+1) + '.txt', jak2_compounds)'
The gen_data that is applied to the 'my_generator.evalute' function is a file about the Chemlb 22 data base. However, the last file you save is called jak2_compounds.
If the last part creates a new jak2_compounds through fine tuning, I think the data used for gen_data should contain jak2 data rather than chemlb data.
I'd like to politely ask if I'm right. Also, I want to know which part of the code is doing fine_tuning. I'm studying a lot thanks to you. I would appreciate your reply.