ligandmpnn
Pass
Audited by Gen Agent Trust Hub on Jul 14, 2026
Risk Level: SAFEEXTERNAL_DOWNLOADSCOMMAND_EXECUTION
Full Analysis
- [EXTERNAL_DOWNLOADS]: Fetches the LigandMPNN source code from the public GitHub repository at
https://github.com/dauparas/LigandMPNN. - [EXTERNAL_DOWNLOADS]: Installs standard bioinformatics Python packages via pip, including
torch,numpy,biopython,ProDy,ml_collections, anddm-tree. - [COMMAND_EXECUTION]: Executes the
get_model_params.shshell script from the cloned repository to download essential model weights. - [COMMAND_EXECUTION]: Uses the
sedutility to patch the downloaded source code for compatibility with newer versions of the NumPy library. - [COMMAND_EXECUTION]: Invokes the
run.pyscript to perform inverse-folding and design tasks using the LigandMPNN model.
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