Discussions

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  Discrepancy in ACSF radial function type

  mamunm started Aug 21, 2024 in General

  

  

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  Import structure from ".cif" file

  rybakov-ks asked Aug 24, 2022 in Q&A · Unanswered

  

  

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  question about the output of SOAP.create

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

  

  

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  Necessity of SOAP normalization

  cswann24 asked Apr 27, 2024 in Q&A · Unanswered

  

  

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  SOAP for granular particles in compacted environment

  deepakpawar2310 started Mar 11, 2024 in General

  

  

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  k2, k3 description in LMBTR descriptor

  fujiepku asked Dec 11, 2023 in Q&A · Unanswered

  

  

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  Using Dscribe as CPP libs.

  Neo-Teyrall started Oct 19, 2023 in Ideas

  

  

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  Issue with SOAP Descriptor: AttributeError: module 'dscribe' has no attribute 'ext'

  deepakpawar2310 started Jul 23, 2023 in General

  

  

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  seeking output of coefficients Cnlm from SOAP descriptors

  taccchen started Jul 31, 2023 in General

  

  

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  Possible contribution / new feature for SOAP

  jlparkI started May 19, 2023 in Ideas

  

  

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  Descriptor that recognizes each atom of the same species differently

  siddarthachar started Jun 6, 2023 in Ideas

  

  

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  Normalize SOAP

  VondrakMar started May 26, 2023 in General

  

  

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  Questions about ACSF descriptors

  xujingZR asked Mar 8, 2023 in Q&A · Unanswered

  

  

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  Is there a back-transform that brings a feature-vector back to its atomic structure?

  JoeyTYW started Feb 4, 2023 in General

  

  

  

  

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  Is SOAP descriptor of invariance with respect to rotation?

  permissionx asked Jun 6, 2022 in Q&A · Answered

  

  

  

  

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  ACSF descriptors for ML

  WSukmas asked Apr 7, 2022 in Q&A · Answered

  

  

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  Supervised ML SOAP dataset loading

  rschireman asked Feb 8, 2022 in Q&A · Answered

  

  

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  Installation error on M1 Mac

  kimiaGF asked Jan 4, 2022 in Q&A · Answered

  

  

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  Questions about SOAP descriptors

  rajathsalegame asked Feb 26, 2021 in Q&A · Answered

  

  

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