Discussions

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  How to use a checkpoint after an epoch to run simulation

  dominicvarghese asked Oct 30, 2025 in Q&A · Unanswered

  

  

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  Units of the reference DFT calculations

  Babuji-ph21d300 asked Oct 24, 2025 in Q&A · Unanswered

  

  

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  Multihead Replay Fine-tuning of. a foundation model

  spiccinin asked Jan 9, 2025 in Q&A · Answered

  

  

  

  

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  Optimization of MACE in LAMMPS

  braydenbanks323 asked Aug 8, 2025 in Q&A · Unanswered

  

  

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  Distillation of foundation model for specific elements

  FrontierDev asked Jun 23, 2025 in Q&A · Unanswered

  

  

  

  

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  .pt or .model LAMMPS

  aminahmadish started Jun 16, 2025 in General

  

  

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  Multihead finetuning the foundation model with with training set calculated with different functional (RPBE)

  riyazpu asked Jun 12, 2025 in Q&A · Answered

  

  

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  Finetuning while mantaining parameters for other elements

  marcob3 asked May 15, 2025 in Q&A · Answered

  

  

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  MACE-MPA cohesive/atomization energy

  foster362 asked Apr 29, 2025 in Q&A · Answered

  

  

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  How to calculate the reference energy of isolated atom in VASP

  kw600 asked Apr 29, 2025 in Q&A · Unanswered

  

  

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  Comparison of MACE in ASE and LAMMPS

  sandy1593 asked Mar 12, 2025 in Q&A · Unanswered

  

  

  

  

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  Universal loss function evaluated with PerAtomMAE

  doouv asked Feb 19, 2025 in Q&A · Answered

  

  

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  mp_traj_combined.xyz is subset of MPtraj. Which subset?

  pimdh asked Feb 27, 2025 in Q&A · Answered

  

  

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  Universal loss function evaluated with PerAtomMAE

  gabor1 asked Feb 25, 2025 in Q&A · Closed · Unanswered

  

  

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  How to use a specific model for training?

  RISHAV01CODER asked Dec 16, 2024 in Q&A · Answered

  

  

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  Using MACE with LAMMPS

  RISHAV01CODER asked Jan 3, 2025 in Q&A · Answered

  

  

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  MACE-mp float, size and optimizer tests

  kavanase started Jan 4, 2025 in Show and tell

  

  

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  Potential and basis set for fine tuning?

  carajillu asked Dec 9, 2024 in Q&A · Answered

  

  

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  Question about memory scaling during training

  rees-c asked Feb 16, 2024 in Q&A · Answered

  

  

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  How was X23 Plot calculated?

  tkreiman asked Sep 6, 2024 in Q&A · Answered

  

  

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  Question about the E0 energies for the dataset

  naveenmohandas started Aug 29, 2024 in General

  

  

  

  

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  Quick question about MP-0 and MP-0b

  turbosonics asked Jun 25, 2024 in Q&A · Closed · Answered

  

  

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  Questions about training data

  yesheng22 asked Jun 19, 2024 in Q&A · Answered

  

  

  

  

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