Discussions

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  Loading packaged model to modified codebase

  MartinMichajlow started Feb 17, 2026 in General

  

  

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  Allegro TorchScript runtime error: size of tensor a (...) must match size of tensor b (...) at non-singleton dimension 0

  olivia614 asked Feb 5, 2026 in Q&A · Unanswered

  

  

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  Compile Error when trying to compile a pre-trained model

  eshaanraval asked Feb 2, 2026 in Q&A · Closed · Answered

  

  

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  Identify data sets

  terryfrankcombe asked Jan 14, 2026 in Q&A · Answered

  

  

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  Train with Loss metric using custom field

  arwycai asked Jan 8, 2026 in Q&A · Answered

  

  

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  Choosing smearing method for finetuning pre-trained models

  dominicvarghese started Dec 27, 2025 in General

  

  

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  The shift value in fine tune the pre-trained model

  liuchongjun7-cell asked Dec 27, 2025 in Q&A · Answered

  

  

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  Question about finetuning on OAM model with MPRelaxSet settings

  Asif-Iqbal-Bhatti started Nov 10, 2025 in General

  

  

  

  

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  Fine tune the pre-trained model on large dataset

  Juo-kim asked Nov 18, 2025 in Q&A · Unanswered

  

  

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  [FEATURE] Using and Predicting Atomic Charges for Defect Systems

  enhancement New feature or request

  BorisWasBezet started Nov 14, 2025 in General

  

  

  

  

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  ML-IAP LAMMPS integration fails to parallelize

  apoletayev asked Nov 1, 2025 in Q&A · Unanswered

  

  

  

  

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  OpenEquivariance ML-IAP compilation

  hmcezar asked Oct 30, 2025 in Q&A · Answered

  

  

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  ML-IAP model not loading to LAMMPS

  apoletayev asked Oct 8, 2025 in Q&A · Answered

  

  

  

  

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  Force prediction issues near defects

  BorisWasBezet started Oct 21, 2025 in General

  

  

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  Lowering the force and stress mae/mrse

  gly123456-phy started Sep 6, 2025 in General

  

  

  

  

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  LAMMPS and ML-IAP with KOKKOS issue with mliappy

  Shuggurath asked Oct 15, 2025 in Q&A · Unanswered

  

  

  

  

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  Are the dependency constraints on Pytorch still applicable?

  bastonero asked Apr 10, 2024 in Q&A · Closed · Unanswered

  

  

  

  

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  Autograd/autocast error when training with OE

  apoletayev asked Oct 4, 2025 in Q&A · Answered

  

  

  

  

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  .pth file for Nequip-OAM-L model

  dominicvarghese asked Sep 8, 2025 in Q&A · Answered

  

  

  

  

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  Compile nequip.zip

  HaoWan2025 asked Oct 1, 2025 in Q&A · Answered

  

  

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  Clarification on energy scale & units in the tutorial si-traj.xyz

  seongboo asked Sep 11, 2025 in Q&A · Answered

  

  

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  v0.15.0: nequip.net

  cw-tan announced Sep 10, 2025 in Announcements

  

  

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  stress format in training data

  gly123456-phy started Sep 5, 2025 in General · Closed

  

  

  

  

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  FileNotFoundError when running on HPC

  m-nader started Sep 2, 2025 in General

  

  

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  Is there any way to get the predicted value? (predicted value & target value to draw the diagonal chart)

  ccccyf asked May 5, 2025 in Q&A · Answered

  

  

  

  

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