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Hello! I hope this question finds you well. I am writing to kindly seek your advice regarding the Reinvent_TLRL Jupyter notebook file. Specifically, I would like to know if the model.pt file for chemprop in RL stage 2 of Reinvent_TLRL is applied exclusively to TNKS2 target compounds or if it is applicable to all compounds. If it is indeed only applied to TNKS2 target compounds, I would be grateful if you could provide guidance on how to create a model.pt file for a specific target. Your assistance in this matter would be greatly appreciated. Thank you very much, and I look forward to your response. :) Have a great day! |
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The model is specific to the enzyme Tankyrase-2 for the specific purpose of binding affinity prediction. To create a new model requires at least some basic expertise. This is documented in the literature, many of which are accessible for free. Model building is really not in the scope of this forum. |
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The model is specific to the enzyme Tankyrase-2 for the specific purpose of binding affinity prediction. To create a new model requires at least some basic expertise. This is documented in the literature, many of which are accessible for free. Model building is really not in the scope of this forum.