Discussions

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  Problem when finalizing the training of a pure water model

  nihil39 asked Sep 3, 2024 in Q&A · Unanswered

  

  

  

  

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  v0.3.7

  ilyes319 announced Oct 2, 2024 in Announcements

  

  

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  multihead finetune issue

  GHLau asked Sep 29, 2024 in Q&A · Unanswered

  

  

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  About model saved files after training

  nihil39 asked Sep 30, 2024 in Q&A · Answered

  

  

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  How can I get mae and rmse of validation and training

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

  

  

  

  

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  Is Structural Optimization Possible with MACE? Looking for Sample Code

  bishopfunc asked Sep 26, 2024 in Q&A · Answered

  

  

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  Finetuning MACE models

  luucs started Sep 23, 2024 in General · Closed

  

  

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  Having trouble reproducing Large Model Training

  daniel-sintef asked Sep 14, 2024 in Q&A · Answered

  

  

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  Deployment of the MACE Model Without Using ASE

  Hsuchein asked Jul 10, 2024 in Q&A · Answered

  

  

  

  

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  Compatibility of MACE Potential with ML-IAP Package in Standard LAMMPS

  scottedmuller asked Sep 4, 2024 in Q&A · Answered

  

  

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  Shifts in energy prediction for different temperature testset.

  shubhamdongriyal started Sep 2, 2024 in General

  

  

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  Tripeptides Data for MACE-OFF Model

  tkreiman asked Jul 29, 2024 in Q&A · Unanswered

  

  

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  Some Questions about MACE for pure water and in general

  nihil39 asked Aug 29, 2024 in Q&A · Unanswered

  

  

  

  

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  Attribute Error while training a basic MACE model.

  RISHAV01CODER asked Aug 15, 2024 in Q&A · Answered

  

  

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  [feature suggest] active learning in lammps

  thangckt started Aug 26, 2024 in Ideas

  

  

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  How the MACE implement the multi-GPU lammps inference?

  SyntaxSmith asked Aug 23, 2024 in Q&A · Answered

  

  

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  What is the difference between Invariant and Equivariant messages?

  pobo95 asked Aug 19, 2024 in Q&A · Answered

  

  

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  Can I create *. model file from checkpoint file?

  turbosonics asked Aug 21, 2024 in Q&A · Answered

  

  

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  Too slow speed for lammps gpu

  Juo-kim asked Aug 21, 2024 in Q&A · Unanswered

  

  

  

  

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  E0 for Iodine vs Bromine

  JSLJ23 asked Jun 20, 2024 in Q&A · Unanswered

  

  

  

  

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  scaling of loss with number of atoms (and other general cleanup?)

  bernstei started Aug 20, 2024 in General

  

  

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  Low RMSE Error for Stress, but failed Parity Plot

  mstapelberg asked Aug 5, 2024 in Q&A · Unanswered

  

  

  

  

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  Is 0.694 timesteps/s a normal speed?

  link89 asked May 29, 2024 in Q&A · Answered

  

  

  

  

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  Trying to build a general relaxation function through MACE, need help with output!

  ceir13 asked Aug 13, 2024 in Q&A · Answered

  

  

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  Support for HIP architecture

  b-rousse started Aug 7, 2024 in Ideas

  

  

  

  

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