The Agent Skills Directory

[EXTERNAL_DOWNLOADS]: The skill requires the installation of the safe-mol Python package. This library is used for encoding molecule scaffolds into SAFE notation, which is the required format for the GenMol generation service.
[DATA_EXFILTRATION]: Molecule data and protein structures are sent to NVIDIA-hosted API endpoints at health.api.nvidia.com. The skill uses an Authorization header with a Bearer token sourced from the NGC_API_KEY environment variable. This is standard functional behavior for interacting with the specified BioNeMo NIM microservices.
[INDIRECT_PROMPT_INJECTION]: The skill ingests data from local protein target files (e.g., target.pdb) to perform molecular docking and affinity prediction.
Ingestion points: The script reads the full text of target.pdb from the workspace.
Boundary markers: There are no explicit delimiters or safety instructions provided to the agent to ignore potentially malicious content within the protein data file.
Capability inventory: The skill utilizes Bash, Write, and Read tools, and executes Python code capable of network communication.
Sanitization: The implementation includes a filtering step that extracts only lines starting with ATOM, which limits the content sent to the API to structural records and excludes other metadata fields.

drug-discovery-pipeline