name: kermt-infer description: Run predictions with a finetuned KERMT checkpoint on a SMILES-only CSV. The skill validates that the input ckpt has task FFN heads (refuses pretrain ckpts with a redirect to kermt-finetune), validates the CSV, prepares the data (clean + rdkit_2d features), then launches main.py predict inside the kermt container (blocking, minutes-scale). license: Apache-2.0 compatibility: Requires docker, nvidia-container-toolkit, and a CUDA-capable NVIDIA GPU. Designed for Claude Code, Codex, and Nemotron. metadata: owner: [email protected] classification: workflow-skill risk_tier: skill
Line/token budget: targets ~170 lines / ~2000 tokens — well within the
500-line / 5000-token cap for skill files.
kermt-infer
Run predictions with a finetuned KERMT checkpoint on a SMILES-only CSV. The skill is the workflow orchestrator: validate ckpt, validate CSV, prepare data, launch the runner blocking, return the predictions CSV.
Skill and runtime paths
Set SKILL_DIR to the absolute path of this installed skill directory. Export
KERMT_REPO as the absolute path to the KERMT checkout used for model
execution. The bundled container helper mounts that checkout at
/workspace and this skill at /skill (read-only). Commands inside
the container use /skill/scripts/; defaults are bundled in .