ligandmpnn
Pass
Audited by Gen Agent Trust Hub on Jul 2, 2026
Risk Level: SAFEEXTERNAL_DOWNLOADSCOMMAND_EXECUTION
Full Analysis
- [EXTERNAL_DOWNLOADS]: Clones the official repository from https://github.com/dauparas/LigandMPNN.git to access the tool's source code and configuration.
- [EXTERNAL_DOWNLOADS]: Executes get_model_params.sh to download model weights from the project's official source.
- [COMMAND_EXECUTION]: Installs necessary Python dependencies (torch, numpy, biopython, ProDy, ml_collections, dm-tree) via pip.
- [COMMAND_EXECUTION]: Applies a source code patch using sed to resolve a specific NumPy compatibility issue.
- [COMMAND_EXECUTION]: Runs the run.py script provided by the LigandMPNN project to perform protein sequence design based on input PDB files.
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