OpenEye Scientific Floes

Documentation for Scientific Floes provided by OpenEye. These Floes and Cubes represent implementation of best practices for modeling tasks in drug discovery using all the capabilities of Orion.

Contents:

• Tutorials
  • Floes and Tools used in the Tutorials
  • Prepare Protein and Bound Ligand from PDB Codes
  • Generate and Prepare Candidates
  • Screening of the Candidates using Docking and MD
• OpenEye Sci Floes - Documentation
  • Field Updater Floes
  • Ligand Preparation
• Release Notes
  • v0.3.0 December 2021
  • v0.2.0 June 2021
  • v0.1.9 November 2020
  • v0.1.8 August 2020
  • v0.1.2

• Index