Discussions

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  TorchSim Technical Roadmap

  orionarcher started Oct 9, 2025 in General

  

  

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  Reference for Suzuki-Yoshida weights

  thomasloux asked Sep 30, 2025 in Q&A · Answered

  

  

  

  

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  KeyError 'stress' when using GemNet or EquiformerV2 in ts.optimize

  R1j1t asked Jul 14, 2025 in Q&A · Closed · Answered

  

  

  

  

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  Adding "global", "per_atom", "per_system" features to SimState

  curtischong started Jul 23, 2025 in Ideas · Closed

  

  

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  Torchsim and Atomate2

  SoniaSY asked Jun 4, 2025 in Q&A · Answered

  

  

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  Barostats for NPT

  jcwang587 started May 12, 2025 in General

  

  

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  NEB calculations

  GHLau started Apr 18, 2025 in General

  

  

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  Inquiry Regarding Multi-GPU Support in MLIP

  Youhaojen asked Apr 12, 2025 in Q&A · Unanswered

  

  

  

  

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  Can this software be used in conjunction with plumed for enhanced sampling？

  zhang1045343477 asked Apr 9, 2025 in Q&A · Answered

  

  

  

  

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  Phonon Calculation Roadmap Without Phonopy Dependency?

  stefanbringuier started Apr 8, 2025 in Ideas

  

  

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  Current Posture on Model Interface Additions and Support

  api API design discussions

  orionarcher started Apr 8, 2025 in General

  

  

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  Welcome to torch-sim Discussions!

  orionarcher announced Apr 8, 2025 in Announcements

  

  

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