utils for ersilia pack
Project description
My Ersilia Python Package
This package provides some utils used by ersilia-pack.
Tools
IO
- read_smiles: Dispatch to the appropriate SMILES reader based on file suffix.
- write_out: Dispatch to CSV or binary writer based on file suffix.
About the Ersilia Open Source Initiative
The Ersilia Open Source Initiative is a tech-nonprofit organization fueling sustainable research in the Global South. Ersilia's main asset is the Ersilia Model Hub, an open-source repository of AI/ML models for antimicrobial drug discovery.
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