pyproject.toml

##
## Dependency manifest for the BioNeMo Agent Toolkit.
##
## This repository is a catalog of agent skills, not an installable Python
## package. The manifest exists so that the open-source dependency tree of the
## helper scripts shipped inside the skills is declared in a machine-readable
## form, which is what NVIDIA nSpect / Black Duck scans. `uv.lock` is committed
## alongside it and is the file the scanner actually resolves versions from.
##
## Keep `dependencies` in sync with the third-party imports under */scripts/.
## After any change, regenerate the lock and confirm the scanner's command
## still succeeds:
##
##     uv lock
##     uv tree --no-dedupe --frozen
##

[project]
name = "bionemo-agent-toolkit"
version = "0.1.0"
description = "Turn any agent into a life science expert with NVIDIA BioNeMo skills."
readme = "README.md"
requires-python = ">=3.10"

# Third-party packages imported by the Python helper scripts in this repo:
#   biotite -> */complexa-binder-design/scripts/{pdb_interface,pipeline,preflight_design,pdb_to_boltz_template_cif}.py
#   numpy   -> */complexa-binder-design/scripts/validate_binders.py, */protein-binder-design/scripts/metrics.py
#   pyyaml  -> */complexa-binder-design/scripts/pipeline.py
# Everything else the scripts import is Python standard library.
dependencies = [
    "biotite>=1.0",
    "numpy>=1.26",
    "pyyaml>=6.0",
]

[project.license]
text = "Apache-2.0 OR CC-BY-4.0"

[[project.authors]]
name = "NVIDIA Corporation"

[project.urls]
Homepage = "https://github.com/NVIDIA-BioNeMo/bionemo-agent-toolkit"

[tool.uv]
# Required by Black Duck's UV detector: the dependency scan is skipped entirely
# when this is false or absent.
managed = true
# The repo root is a dependency container only — there is nothing to build or
# install from it, so uv treats it as a virtual project.
package = false