Discussions

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  Floating Point Inconsistency Error

  RongkunZhou asked Aug 14, 2024 in Q&A · Unanswered

  

  

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  Error in installing LAMMPS with Allegro

  kuntalg97 asked Aug 5, 2024 in Q&A · Unanswered

  

  

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  How to continue a previously terminated training process?

  kuntalg97 asked Aug 1, 2024 in Q&A · Closed · Unanswered

  

  

  

  

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  GPU issues while running LAMMPS with Allegro

  kuntalg97 asked Aug 2, 2024 in Q&A · Unanswered

  

  

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  NequIP -> Allegro fine-tune training?

  turbosonics asked Jul 26, 2024 in Q&A · Unanswered

  

  

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  Lattice vectors from box size

  KP-303 asked Jun 6, 2024 in Q&A · Answered

  

  

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  Combining Allegro with an MLP that takes in molecular information

  varunpatro1 asked Jul 17, 2024 in Q&A · Unanswered

  

  

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  How to verify if my added node features are propagating during train time

  varunpatro1 asked Jul 2, 2024 in Q&A · Answered

  

  

  

  

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  Charge and dipole moment prediction

  24ssuman started Jun 3, 2024 in General

  

  

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  Pre-trained Allegro model?

  jkhanChE asked May 13, 2024 in Q&A · Unanswered

  

  

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  Transferability of Allegro

  JosiahCMoltz asked May 15, 2024 in Q&A · Unanswered

  

  

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  High error in energy

  baoanh13 asked May 9, 2024 in Q&A · Unanswered

  

  

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  Atomic energy

  tjgiese started Apr 24, 2024 in General

  

  

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  Training stress with allegro

  Tawfiq1448 asked Mar 8, 2024 in Q&A · Unanswered

  

  

  

  

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  atom types for coarse graining

  KP-303 asked Mar 4, 2024 in Q&A · Unanswered

  

  

  

  

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  CP2K Compilation

  gcarneiroq asked Feb 24, 2024 in Q&A · Unanswered

  

  

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  Batch Size and Energy + Force Training

  rschireman asked Mar 26, 2024 in Q&A · Answered

  

  

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  Generating training data from trajectory

  jonathan-booth asked Feb 27, 2024 in Q&A · Closed · Unanswered

  

  

  

  

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  RuntimeError: CUDA error: an illegal memory access was encountered

  MusannaGalib asked Feb 28, 2024 in Q&A · Answered

  

  

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  Per-species cutoffs

  nec4 asked Feb 8, 2024 in Q&A · Unanswered

  

  

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  Per species force RMSE

  omidshy asked Dec 13, 2023 in Q&A · Unanswered

  

  

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  Allegro's tensor produce is the same way of e3nn's tensor produce

  khk0131 asked Oct 23, 2023 in Q&A · Unanswered

  

  

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  Scripts to convert VASP OUTCAR to Allegro input

  Babuji-ph21d300 asked Oct 19, 2023 in Q&A · Unanswered

  

  

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  MAKE Pair-allegro error with the newer LAMMPS version

  upavelru asked Oct 1, 2023 in Q&A · Closed · Unanswered

  

  

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  NPT-MD simulation under the periodic boundary conditions

  Yuta-Yoshimoto asked Aug 31, 2023 in Q&A · Closed · Unanswered

  

  

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