Discussions

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  Question about the hyperparameters BATCH_EXAMPLE

  Oceanusity asked Sep 20, 2023 in Q&A · Answered

  

  

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  How should set validation_batch_size??

  jungsdao asked Sep 19, 2023 in Q&A · Unanswered

  

  

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  Shape of MACE descriptor

  jungsdao asked Sep 18, 2023 in Q&A · Answered

  

  

  

  

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  Maximum trainable size

  mlfffinder asked Sep 5, 2023 in Q&A · Answered

  

  

  

  

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  e0 calculation

  shenoynikhil asked Jul 10, 2023 in Q&A · Answered

  

  

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  Model Parameters and Lammps Performance

  owen-rett asked Jul 15, 2023 in Q&A · Closed · Unanswered

  

  

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  Device error when evaluating MACE.

  jungsdao asked Jul 11, 2023 in Q&A · Answered

  

  

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  Out of memory halfway through

  YuanbinLiu asked Jun 17, 2023 in Q&A · Unanswered

  

  

  

  

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  error while doing the evaluation of the trained model

  YuanbinLiu asked Jun 19, 2023 in Q&A · Answered

  

  

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  out of memory even with multi-card training

  YuanbinLiu asked Jun 16, 2023 in Q&A · Answered

  

  

  

  

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  Standalone Model outside this Repository

  shenoynikhil asked Jun 1, 2023 in Q&A · Unanswered

  

  

  

  

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  Current status of OpenMM and LAMMPS integration

  help wanted Extra attention is needed

  svandenhaute asked Feb 2, 2023 in Q&A · Answered

  

  

  

  

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  Question about Message Construction

  lsnty5190 asked Apr 18, 2023 in Q&A · Answered

  

  

  

  

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  OpenMM and PBCs

  sef43 started Mar 15, 2023 in General · Closed

  

  

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  Increasing the number of message passing steps

  zakmachachi asked Feb 10, 2023 in Q&A · Answered

  

  

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  Question related to Model generated after training complete

  help wanted Extra attention is needed question Further information is requested

  Vinceuwe started Sep 20, 2022 in Ideas

  

  

  

  

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  Symmetric contractions which are element-dependent vs. not

  chaitjo asked Oct 31, 2022 in Q&A · Answered

  

  

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  why symmetric contraction doesn't work for some hidden irreps?

  Fadelis98 asked Nov 8, 2022 in Q&A · Answered

  

  

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  Last readout for AtomicDipolesMACE

  JoshRackers asked Dec 15, 2022 in Q&A · Answered

  

  

  

  

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  torchscript

  paulelenord asked Nov 6, 2022 in Q&A · Answered

  

  

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  Memory management

  kkly1995 asked Sep 22, 2022 in Q&A · Answered

  

  

  

  

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