Skills

Kermt Finetune

Finetune a pretrained KERMT encoder on a labeled CSV.

Install

npx skills add NVIDIA-BioNeMo/bionemo-agent-toolkit --skill kermt-finetune -g -a claude-code -y
Category
AI and agents
Updated
8d ago
License
Apache-2.0
Context cost
Mediumabout 3,000 tokens
Runs scripts
No, instructions only

What it does

Finetune a pretrained KERMT encoder on a labeled CSV. The skill validates the input checkpoint (must be a pretrain ckpt, grover_base / cmim / hybrid), validates the labeled CSV, prepares the data (clean + features + optional split), then launches main.py finetune inside the kermt container (detached for hours-scale runs). Hyperparameters come from agent/config/defaults_finetune.json with per-flag CLI override.

kermt-finetune

Finetune a pretrained KERMT encoder on a user-supplied labeled CSV. The skill is the workflow orchestrator: validate ckpt, validate data, prepare data, launch the runner detached, return a run directory + container name.

Hardware requirements

  • GPUs: 1 by default (single-GPU); pass --gpus 0 (or whichever id) to select one. For faster training on a multi-GPU host, pass --num-gpus N (N>1) to run data-parallel DDP across N GPUs, --batch-size is then per-GPU (effective global batch = batch_size × N).
  • VRAM: ≥ 8 GB for the default batch_size 32 configuration. Lower VRAM works at smaller batch sizes, pass --batch-size N to override.
  • Disk: a few GB per run (checkpoint + features + logs).
  • Driver / CUDA: any host supporting CUDA 12.6 (the kermt image base). kermt-setup validates this up-front.

Inputs

Required:

  • --csv <path>, labeled CSV. First column is smiles; every other column is a target.

Checkpoint (optional, defaults to the released model if omitted):

  • --ckpt <path>, input pretrain checkpoint (grover_base / cmim / hybrid). The validator refuses already-finetuned ckpts with a redirect to kermt-infer. If omitted, the skill offers to download the released pretrained hybrid model nvidia/NV-KERMT-70M-v2 and finetune from it, see "Resolve & validate the checkpoint" (workflow step 3).
  • --pretrained-release, explicit opt-in to use the released model without the interactive prompt (for non-interactive / agent runs). Mutually exclusive with --ckpt.
  • --model-dir <dir>, where to save the downloaded bundle (default $KERMT_REPO/models/NV-KERMT-70M-v2/). An already-complete bundle there is reused, not re-downloaded.

Optional:

Read the whole SKILL.md on GitHub

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