Discussions

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  Hope to change the type_map after loading the trained model by checkpoint

  wei0py asked May 10, 2022 in Q&A · Unanswered

  

  

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  Why rmse_val and rmse_trn differ when --restart the training?

  reproduced This bug has been reproduced by developers

  Lewis-YL asked May 9, 2022 in Q&A · Answered

  

  

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  Get descriptor without training

  braxtonowens asked May 6, 2022 in Q&A · Unanswered

  

  

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  Data Stating Duration for Larger Batch Sizes

  npiroozan asked May 5, 2022 in Q&A · Unanswered

  

  

  

  

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  compress training error curves are not same as the example

  TongTongMaster asked May 3, 2022 in Q&A · Unanswered

  

  

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  Good number of "sets" to train to.

  rohskopf asked Apr 21, 2020 in Q&A · Answered

  

  

  

  

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  dp convert-from

  chenfan22 asked May 4, 2022 in Q&A · Answered

  

  

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  Running dp train leads to issues with tensorflow

  kimiaGF asked Apr 13, 2022 in Q&A · Unanswered

  

  

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  MPI Parallelism on CPU Nodes

  npiroozan asked Apr 22, 2022 in Q&A · Unanswered

  

  

  

  

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  Open of file libdeepmd_lmp.so failed

  theAfish asked May 1, 2022 in Q&A · Unanswered

  

  

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  Substitute to calling all directories manually in input.json

  JayKayNJIT asked Apr 17, 2022 in Q&A · Answered

  

  

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  Model with 5 atom types

  bug

  PabloPiaggi asked May 2, 2022 in Q&A · Answered

  

  

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  How can I determine rcut_smth for my system?

  saeedshahi asked May 2, 2022 in Q&A · Answered

  

  

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  upper limit on the size of the training dataset

  LiangMD-BGI asked Apr 25, 2022 in Q&A · Unanswered

  

  

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  May I train dp using mixed datasets with different number of elements

  phantaum asked Apr 22, 2022 in Q&A · Answered

  

  

  

  

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  Descriptor neuron vs fitting net neuron

  krishnapitike asked Apr 11, 2022 in Q&A · Unanswered

  

  

  

  

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  How to properly set the training precision of a DP model in deepmd-kit v2.1.0

  ipe-zhangyz asked Apr 16, 2022 in Q&A · Answered

  

  

  

  

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  List index error

  kimiaGF asked Apr 10, 2022 in Q&A · Answered

  

  

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  cannot run dp neighbor-stat

  LZYUCL asked Mar 28, 2022 in Q&A · Answered

  

  

  

  

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  Pressure output difference between vasp and lammps

  wankiwi asked Apr 7, 2022 in Q&A · Answered

  

  

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  Results or output figures for example data (water-se-e2-a)?

  hu-lm asked Apr 7, 2022 in Q&A · Unanswered

  

  

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  An unexcepted differences in energy calculations with/without LAMMPS

  DemingXia started Apr 4, 2022 in General

  

  

  

  

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  Large force RMSE

  melicherova asked Mar 17, 2022 in Q&A · Unanswered

  

  

  

  

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  encounter the error message when dp test, how to solve?

  nicho1303 asked Apr 1, 2022 in Q&A · Unanswered

  

  

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  Creating a potential by training data on multiple sets of temperatures

  ramic-k started Mar 31, 2022 in General

  

  

  

  

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