Published June 3, 2025 | Version v2.0.1
Software Open

durrantlab/dimorphite_dl: v2.0.1

Authors/Creators

  • 1. University of Pittsburgh
  • 2. Exscientia AI

Description

Changed

  • Rearranged __init__.py imports to mainly have from dimorphite_dl import protonate_smiles.

Fixed

  • Circular import of SMARTS.

Files

durrantlab/dimorphite_dl-v2.0.1.zip

Files (154.6 kB)

Name Size Download all
md5:7c6d97117d9732a450f3173c69382c4b
154.6 kB Preview Download

Additional details

Related works

Is supplement to
Software: https://github.com/durrantlab/dimorphite_dl/tree/v2.0.1 (URL)

Software

Repository URL
https://github.com/durrantlab/dimorphite_dl