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@ThWIC-AutoQSPR ThWIC AutoQSPR

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    5 repositories

    • repository_template

      Public template
      Other
      •0•0•0•0•Updated Mar 31, 2024Mar 31, 2024

    • penguine-mol-3d

      Public
      3D visualization of small compounds
      Python
      •
      Other
      •1•0•0•0•Updated Jan 29, 2024Jan 29, 2024

    • cheminformatics-microservice

      Public
      This set of essential and valuable microservices is designed to be accessed via API calls to support cheminformatics.
      Python
      •
      MIT License
      •4•0•0•0•Updated Jan 22, 2024Jan 22, 2024

    • sila-sdk-python

      Public
      Sila Python SDK (beta)
      Python
      •
      Other
      •7•0•0•0•Updated Aug 8, 2023Aug 8, 2023

    • mol2ecfp4

      Public
      convert molecules to their ECFP4 fingerprint using rdkit
      Python
      •
      BSD 3-Clause "New" or "Revised" License
      •3•0•0•0•Updated Aug 2, 2023Aug 2, 2023