Thank you for reaching out me. The code that I utilized to extract SOAp
descriptors can be found in
https://github.com/Andrew-S-Rosen/QMOF/tree/main/machine_learning/soap_kernel.
However, please keep in mind the fact that my descriptor is not average
soap, which is based on similarity between different materials.
If you have any trouble in extracting the SOAP descriptors, please send
your code and cif or Xyz files to me! Be careful the fact that the Qmof
code can only be activated if the structural files are Xyz ones.
Dear researcher seyuquio,
Thank you for reaching out me. The code that I utilized to extract SOAp descriptors can be found in https://github.com/Andrew-S-Rosen/QMOF/tree/main/machine_learning/soap_kernel. However, please keep in mind the fact that my descriptor is not average soap, which is based on similarity between different materials. If you have any trouble in extracting the SOAP descriptors, please send your code and cif or Xyz files to me! Be careful the fact that the Qmof code can only be activated if the structural files are Xyz ones.
Warm regards,
Jaejun Lee
2024년 1월 22일 (월) 오후 7:03, suyuqiao34 @.***>님이 작성: