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topazape / LSTM_Chem

Implementation of the paper - Generative Recurrent Networks for De Novo Drug Design.
The Unlicense
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How I can get the file 'LSTM_Chem-22-0.42.hdf5'? #4

Closed Dharmogata closed 4 years ago

Dharmogata commented 4 years ago

Hello topazape,

Could you please share the file named' LSTM_Chem-22-0.42.hdf5'?

Thank you in advance!

topazape commented 4 years ago

@gwanseum Thank you for your request. But I am sorry I can not share that hdf5 file for two reasons.

  1. The model is too big to share on GitHub. (GitHub prohibits sharing files over 100 MB)
  2. The fine-tuned weight file hdf5 is completely related to the target molecules. And target molecules include in-house data :(

So, please build the model yourself and prepare molecules (SMILES) for fine tuning yourself.

Thank you.

Dharmogata commented 4 years ago

Hello, topazape,

I really appreciate your prompt response!

I got it ! but if it is possible, could you please let me know any references that I can refer to on how to generate fine-tuned weightfile hdf5.

Thank you again.

Yours

topazape commented 4 years ago

@gwanseum

OK, I will share a sample code. But unfortunately, this repo is old so I almost forgot the meaning of my code...😓 (Keras & TF upgrade is so fast and I use PyTorch now.) Therefore, please wait a few days until pushing the sample code to this repo.

Sincerely,

Dharmogata commented 4 years ago

@topazape

I really appreciate that !

Yours,

topazape commented 4 years ago

@gwanseum

I am very sorry for the late reply. I rewrote almost all the code using tf 2.0, wrote friendly README.md, and pushed the sample *.ipynb. I am very happy if this code becomes a holiday gift 😄 Please See the master branch and try it!

Sincerely,

Dharmogata commented 4 years ago

Hello, topazape,

Oh, WOW

Please note that I really really appreciate for your help and this code is the most valuable christmas gift I have ever received so far!

Merry christmas!

Yours,

K.S SUH

2019년 12월 24일 (화) 오전 2:24, topazape notifications@github.com님이 작성:

@gwanseum https://github.com/gwanseum

I am very sorry for the late reply. I rewrote almost all the code using tf 2.0, wrote friendly README.md, and pushed the sample *.ipynb. I am very happy if this code becomes a holiday gift 😄 Please See the master branch and try it!

Sincerely,

— You are receiving this because you were mentioned. Reply to this email directly, view it on GitHub https://github.com/topazape/LSTM_Chem/issues/4?email_source=notifications&email_token=ABHLJYRM4CIWTW5JPSZX5LDQ2FXFTA5CNFSM4JO3UD32YY3PNVWWK3TUL52HS4DFVREXG43VMVBW63LNMVXHJKTDN5WW2ZLOORPWSZGOEHSJVHQ#issuecomment-568629918, or unsubscribe https://github.com/notifications/unsubscribe-auth/ABHLJYVOQU6TJ3FYNOOYIHLQ2FXFTANCNFSM4JO3UD3Q .

topazape commented 4 years ago

@gwanseum

I am happy that I can help you. I will close this issue tonight, so if you have any questions, please add a new issue.

Merry Christmas!

Regards,

Dharmogata commented 4 years ago

@topazape/LSTM_Chem reply@reply.github.com

I got it.

I will

Thank you

Yours,

K.S SUH

2019년 12월 24일 (화) 오전 9:04, topazape notifications@github.com님이 작성:

Closed #4 https://github.com/topazape/LSTM_Chem/issues/4.

— You are receiving this because you were mentioned. Reply to this email directly, view it on GitHub https://github.com/topazape/LSTM_Chem/issues/4?email_source=notifications&email_token=ABHLJYUAMAQTVOWF5Q5MM3TQ2HGCPA5CNFSM4JO3UD32YY3PNVWWK3TUL52HS4DFWZEXG43VMVCXMZLOORHG65DJMZUWGYLUNFXW5KTDN5WW2ZLOORPWSZGOVU6Y54Y#event-2906492659, or unsubscribe https://github.com/notifications/unsubscribe-auth/ABHLJYS5QZNN3WHHWINNGBDQ2HGCPANCNFSM4JO3UD3Q .