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  • 上海
  • 00:41 (UTC +08:00)

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  1. FPS-SOAP FPS-SOAP Public

    FPS-SOAP is a set of scripts for efficient chemical dataset curation using Farthest Point Sampling (FPS) algorithm combined with Smooth Overlap of Atomic Positions (SOAP) descriptors.

    Python 6

  2. DPA3-CHON DPA3-CHON Public

    Python

  3. autoCG autoCG Public

    Forked from kyunghoonlee777/autoCG

    Automated Complex Generator

    Python 1 1

  4. yarp yarp Public

    Forked from Savoie-Research-Group/yarp

    Object-oriented refactoring of the YARP package

    Python