Discussions

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  Partial layer freezing for fine-tuning to mitigate catastrophic forgetting on dopant elements

  sek1ro-yuzzz asked Jan 3, 2026 in Q&A · Unanswered

  

  

  

  

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  How to Run SevenNet+LAMMPS with Single GPU + Multi-core CPU?

  sek1ro-yuzzz asked May 22, 2025 in Q&A · Answered

  

  

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  Fine-tuning: Energy Offset Issue

  sek1ro-yuzzz asked May 17, 2025 in Q&A · Answered

  

  

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  Performance of Sevenn model in LAMMPS

  thangckt started Mar 20, 2025 in General

  

  

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  Large initial energy RMSE when finetuning

  tomdemeyere asked Mar 20, 2025 in Q&A · Unanswered

  

  

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  Importance of lattice vectors for arbitrary molecule inputs

  davidcjuergens started Mar 6, 2025 in General

  

  

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  Explicitly pass reference atomic energies

  Enry99 asked Mar 4, 2025 in Q&A · Answered

  

  

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  Are there LAMMPS-SevenNet tests using acceleration packages?

  turbosonics asked Feb 27, 2025 in Q&A · Closed · Answered

  

  

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  About fine tuning

  Taeyoung-kim-korea asked Feb 7, 2025 in Q&A · Unanswered

  

  

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  Energy prediction shift problem

  kaijiz asked Jan 13, 2025 in Q&A · Unanswered

  

  

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  Question about the current version (v0.10.3)

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

  

  

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  What is the PyTorch version that is most compatible with CUDA 12.4?

  BogeunPark started Dec 14, 2024 in General · Closed

  

  

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  Parameter data_divide_ratio in input.yaml

  AugustinLu started Dec 3, 2024 in General

  

  

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  Can SevenNet also benefit from the recent NVIDIA cuEquivariance library?

  yjw0510 asked Nov 20, 2024 in Q&A · Answered

  

  

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  deployed.pt file size limit after fine tuning?

  lees58915 started Nov 14, 2024 in General

  

  

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  estimate uncertainty?

  thangckt started Oct 22, 2024 in General

  

  

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  Question about fine-tune the pre-trained model.

  turbosonics asked Oct 29, 2024 in Q&A · Answered

  

  

  

  

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  How to train with custom energy and force label?

  naveenmohandas asked Oct 29, 2024 in Q&A · Unanswered

  

  

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  Preprocessing Dataset

  Safqut asked Oct 28, 2024 in Q&A · Unanswered

  

  

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  make -j4 not working

  Safqut asked Oct 25, 2024 in Q&A · Answered

  

  

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  Does LAMMPS-SevenNet restrat work?

  turbosonics asked Oct 23, 2024 in Q&A · Unanswered

  

  

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  Can I fine tune a model with different setting from original?

  turbosonics asked Aug 27, 2024 in Q&A · Unanswered

  

  

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  Fine tune with additional elements

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

  

  

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  Why We Need get Force from Edge feature？

  SyntaxSmith asked Aug 12, 2024 in Q&A · Closed · Unanswered

  

  

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  Any restart option?

  turbosonics asked Aug 12, 2024 in Q&A · Closed · Answered

  

  

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