Repositories list

• dimorphite_dl

  Public
  Protonate Your SMILES! Mirror of https://git.durrantlab.pitt.edu/jdurrant/dimorphite_dl/

  Python

  •

  Apache License 2.0

  •10•0•0•0•Updated Jan 28, 2025Jan 28, 2025

• fpocket

  Public
  dockerized webserver for dpocket part

  C

  •

  MIT License

  •64•0•0•0•Updated Nov 17, 2024Nov 17, 2024

• MolAI-Publication

  Public
  Jupyter Notebook

  •0•0•0•0•Updated Nov 11, 2024Nov 11, 2024

• iScore

  Public
  Implementation of the Paper "iScore: A ML-Based Scoring Function for de novo Drug Discovery" by S.J. Mahdizadeh, and L.A. Eriksson (https://doi.org/10.1101/2024.04.02.587723).

  Python

  •0•0•0•0•Updated Jun 14, 2024Jun 14, 2024