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Comments (4)

sokrypton avatar sokrypton commented on July 21, 2024
  1. We need something to initialize the model (and later to compute the TMscore against). Later the native structure within the model is replaced by the decoys.
  2. CHAIN = "A,B"

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Chengeng-Yang avatar Chengeng-Yang commented on July 21, 2024

Many thanks for your reply! I just have a few more concerns.

  1. We need something to initialize the model (and later to compute the TMscore against). Later the native structure within the model is replaced by the decoys.

Thanks for the reply. I see, so that cell was for the initialization. I was just curious about which template it takes for prediction and ranking (but maybe it's concerned with MSA taken by alphafold, instead of AF2Rank)

  1. CHAIN = "A,B"
    Thanks for the hint, now the model was successfully initialized. But when I run af.predict, I got another error called "ValueError: 'model_1_multimer_v2' is not in list". Could you tell me if there's a way to fix this, like adding an additional parameter in af.predict()?
    image

Thanks for reading the message!

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sokrypton avatar sokrypton commented on July 21, 2024

looks like multimer model got updated to v3. I've updated the notebook. Can you try again.

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Chengeng-Yang avatar Chengeng-Yang commented on July 21, 2024

Yes, that works now! Many thanks for your kind help

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