-e nemo-gym[dev] @ ../../
# Pinned to 2025.9.6 rather than the then-current 2026.3.6 (released 2026-09-03):
# every control recorded in README.md — 241/241 gold-as-prediction, the four
# negative controls, and the 17-species organometallic recovery — was measured on
# this version, and canonical SMILES output can change across RDKit releases.
# Also matches the sibling moldetox server. Revisit by re-running those controls,
# not by bumping the pin alone. See README "Dependencies" for the alternatives.
rdkit==2025.9.6
