Discussions

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  Difference between finetuning and restart training

  matr1x-1 asked May 6, 2024 in Q&A · Unanswered

  

  

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  Some questions about deep potential

  WeJear asked May 1, 2024 in Q&A · Unanswered

  

  

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  Polarizability issue

  jakubks started Apr 30, 2024 in General

  

  

  

  

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  Any recommandation to improve the efficiency of DP model in MD simulations?

  Johnsyisme asked Apr 29, 2024 in Q&A · Unanswered

  

  

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  How to save the best model on validation data during model training?

  yzchen08 asked Apr 30, 2024 in Q&A · Unanswered

  

  

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  How to improve the the Dp model with low RMSE?

  Guancred asked Apr 30, 2024 in Q&A · Unanswered

  

  

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  Unstable PLUMED simulation when using the OpenMM/DeepMD plugin

  varun-go started Mar 21, 2024 in General

  

  

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  model predicts good on separate datasets but bad on combined datasets

  beidouamg asked Apr 17, 2024 in Q&A · Answered

  

  

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  Installation Issue when installation via the .sh scripts (md5 mismatch)

  arsenomadridabin asked Apr 24, 2024 in Q&A · Unanswered

  

  

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  DPA-2 does not support multi-card invocation.

  wangyi01 asked Apr 19, 2024 in Q&A · Answered

  

  

  

  

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  How to set somes system as training set?

  Xi-yuanWang asked Oct 1, 2020 in Q&A · Unanswered

  

  

  

  

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  Does deepmd-kit support a potentiostatic version of lammps? Such as the version of stable_2Aug2023_update3.

  llllkkkkkoo asked Apr 19, 2024 in Q&A · Unanswered

  

  

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  ERROR: DeePMD-kit Error: TensorFlow Error: INVALID_ARGUMENT: 2 ROOT errors found, INVALID_ARGUMENT: required broadcatsble shapes

  sddtju asked Apr 18, 2024 in Q&A · Unanswered

  

  

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  Unable to run LAMMPS using trained model

  yzjin asked Aug 24, 2021 in Q&A · Unanswered

  

  

  

  

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  Query about downstream tasks using pre-trained DPA-2 model

  rajnichahal started Apr 17, 2024 in General

  

  

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  how to convert lammps.dat file for suitable format in deepmd for training to build deep potential

  Riddhiahir asked Apr 17, 2024 in Q&A · Unanswered

  

  

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  Does deepmd-kit support a potentiostatic version of lammps？

  llllkkkkkoo asked Apr 16, 2024 in Q&A · Unanswered

  

  

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  using USER-DEEPMD package and an error occurs in make LAMMPS' mpi

  WeJear asked Mar 19, 2024 in Q&A · Unanswered

  

  

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  What unit is used for total loss function in lcurve.out ?

  ald3hyde started Apr 12, 2024 in General

  

  

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  DFT data needed for spin energy using deepmd

  siddarthachar started Dec 1, 2023 in General

  

  

  

  

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  A question about 'number of steps' in input.json

  kaijiz asked Apr 10, 2024 in Q&A · Answered

  

  

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  how to output or download the 'predict' part during testing the model

  kaijiz asked Apr 10, 2024 in Q&A · Unanswered

  

  

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  dp_frz

  k50112113 asked Oct 28, 2019 in Q&A · Answered

  

  

  

  

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  Parallel Training with Multi-GPUs

  bsplu asked Apr 8, 2024 in Q&A · Answered

  

  

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  Relicense LAMMPS module to GPLv2 license

  njzjz started Apr 2, 2024 in Show and tell

  

  

  

  

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