OpenEye Large Scale Floes DocumentationΒΆ
This Floe package contains floes for structure and ligand based virtual screening of large molecular libraries of billions of molecules, as well as floes for preparing large libraries for screening.
Contents:
- Tutorials
- How-to Guides
- Run Giga Docking on Billions of Molecules
- Estimate the cost of a Giga Docking Run
- Determine if Giga Docking Will Give Good Results with a Given Receptor
- Edit a Receptor
- Generate a Giga Docking Hit List Datast of More Than 10K Molecule
- Prepare Molecules in a CSV File for GigaDocking and FastROCS
- Restart a Giga Docking Job That Stopped Due to Cost
- Get Access To Full Vendor Giga Docking Collections Prepared by OpenEye
- Floe Reference Material
- Gigadock
- FastROCS Plus
- Batch FastROCS
- Prepare Giga Collections
- Filter Collection
- Collection to Hitlist Dataset
- FreeForm Pose
- Cluster Poses
- Collection Info
- Sample Collection
- Collection to File
- Gigadock Collection to Hi-res FastROCS Collection
- Pareto Frontier Consensus
- Gigadock Warp
- Multi Query 2D Similarity
- Explanations
- Release Notes