Discussions

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  Inquiry Regarding Loss Score Interpretation in Reinforcement Learning with reinvent4

  question Further information is requested

  jackhu5 asked May 12, 2024 in Q&A · Answered

  

  

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  Understanding of the staged-learning results

  question Further information is requested

  GeYan489 asked May 11, 2024 in Q&A · Unanswered

  

  

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  how to write my own scoring plugin

  GeYan489 asked May 10, 2024 in Q&A · Unanswered

  

  

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  how to set the configs for calling the trained QPTUNA model during staged learning

  MachineGUN001 asked May 7, 2024 in Q&A · Closed · Answered

  

  

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  Can you provide a toml example on how to use Qptuna trained models to further generate new molecules?

  MachineGUN001 asked Apr 28, 2024 in Q&A · Closed · Answered

  

  

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  Generate compounds containing a substructure

  ypevzner asked Apr 25, 2024 in Q&A · Answered

  

  

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  questions for Reinvent_TLRL.py

  MachineGUN001 asked Apr 29, 2024 in Q&A · Closed · Unanswered

  

  

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  priors and git

  j3mdamas started Mar 20, 2024 in Ideas

  

  

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  ask for a tutorial for the scaffold-hopping and R-groups replacement

  MachineGUN001 asked Feb 5, 2024 in Q&A · Answered

  

  

  

  

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  how to generate the new/novel molecules by using TL_Mol2Mol.model after running transfer learning?

  MachineGUN001 asked Feb 6, 2024 in Q&A · Answered

  

  

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  Welcome to REINVENT4 Discussions!

  halx announced Nov 3, 2023 in Announcements · Closed

  

  

  

  

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