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    7 repositories

    • pkasolver

      Public
      toolkit for prediction pKa values of small molecules via graph convolutional networks
      Jupyter Notebook
      •
      MIT License
      •20•0•0•0•Updated Mar 4, 2024Mar 4, 2024

    • mlflow

      Public
      Open source platform for the machine learning lifecycle
      Python
      •
      Apache License 2.0
      •4.3k•0•0•0•Updated Feb 10, 2023Feb 10, 2023

    • dimorphite_dl

      Public
      Mirror of https://git.durrantlab.pitt.edu/jdurrant/dimorphite_dl/
      Python
      •
      Apache License 2.0
      •9•0•0•0•Updated Jan 11, 2023Jan 11, 2023

    • pdf2doi

      Public
      A python library/command-line tool to extract the DOI or other identifiers of a scientific paper from a pdf file.
      Python
      •18•0•0•0•Updated Dec 28, 2022Dec 28, 2022

    • boruta_py

      Public
      Python implementations of the Boruta all-relevant feature selection method.
      Python
      •
      BSD 3-Clause "New" or "Revised" License
      •258•0•0•0•Updated Dec 23, 2022Dec 23, 2022

    • pdfminer.six

      Public
      Community maintained fork of pdfminer - we fathom PDF
      Python
      •
      MIT License
      •943•0•0•0•Updated Aug 29, 2022Aug 29, 2022

    • mol_property

      Public
      Prediction of pKa from chemical structure using machine learning approaches，molecular similarity and so on
      Python
      •
      MIT License
      •10•0•0•0•Updated Mar 20, 2022Mar 20, 2022