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insilicomedicine / GENTRL

Generative Tensorial Reinforcement Learning (GENTRL) model
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gentrl 0.1 require torch==1.0.1, but molsets require torch==1.1.0 #1

Closed techstone closed 4 years ago

techstone commented 4 years ago

gentrl 0.1 has requirement torch==1.0.1, but you'll have torch 1.1.0 which is incompatible

danpol commented 4 years ago

Thank you for reporting it! We recently updated torch in MOSES 0.2 to 1.1.0. For compatibility in GENTRL, we now specify version MOSES 0.1.3 in GENTRL which uses torch 1.0.1.

ghost commented 3 years ago

Hi all, Here's an error while installing MOSES

**ERROR: After October 2020 you may experience errors when installing or updating packages. This is because pip will change the way that it resolves dependency conflicts.

We recommend you use --use-feature=2020-resolver to test your packages with the new resolver before it becomes the default.

gentrl 0.1 requires molsets==0.1.3, but you'll have molsets 0.3.1 which is incompatible. gentrl 0.1 requires torch==1.0.1, but you'll have torch 1.1.0 which is incompatible.**

ghost commented 3 years ago

Hi there,

I've overcome the error with new file you have created. Now how to start with the following steps.

  1. Run the pretrain.ipynb to train an autoencoder
  2. Run the train_rl.ipynb to optimize a reward function