Discussions

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  A question when running datasetbuilder

  Anopaul asked Aug 12, 2022 in Q&A · Unanswered

  

  

  

  

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  Some problem on the command

  KangBaoBBS asked May 18, 2024 in Q&A · Unanswered

  

  

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  Could the "--cut-off" option deal with the bulk materials?

  alystone asked Dec 13, 2023 in Q&A · Unanswered

  

  

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  dpgen init_reaction dataset_size

  nnyyxx-bit asked Nov 7, 2023 in Q&A · Unanswered

  

  

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  mddatasetbuilder does not work properly.

  nnyyxx-bit started Sep 8, 2023 in General · Closed

  

  

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  v1.3.4

  njzjz started Jun 21, 2022 in General

  

  

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  v1.3.3

  njzjz started Jun 20, 2022 in General

  

  

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  how to get "dump.ch4" and "bonds.reaxc.ch4_new" files?

  McAlexDudu asked Jan 18, 2022 in Q&A · Answered

  

  

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  Some issues on the size of the dataset

  Wangyt54549 asked Sep 13, 2021 in Q&A · Unanswered

  

  

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  v1.3.2

  njzjz started Sep 6, 2021 in General

  

  

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