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This repo is intended to start where deepchem.dock left off. It's factored into a separate repo to allow for more flexibility in maintaining a separate codebase that handles issues with docking.
One thing we'll need to get right in this repo is having robust protein/ligand preparation for docking. This is a complex issue with lots of factors to consider. This old DeepChem issue has a good amount of discussion: deepchem/deepchem#368
Let's continue the conversation here.
The text was updated successfully, but these errors were encountered:
This repo is intended to start where
deepchem.dock
left off. It's factored into a separate repo to allow for more flexibility in maintaining a separate codebase that handles issues with docking.One thing we'll need to get right in this repo is having robust protein/ligand preparation for docking. This is a complex issue with lots of factors to consider. This old DeepChem issue has a good amount of discussion: deepchem/deepchem#368
Let's continue the conversation here.
The text was updated successfully, but these errors were encountered: