Software Development
KERMT Embed
Extract per-molecule embeddings from any encoder-bearing KERMT checkpoint. Use a local checkpoint or optionally download a pinned Hugging Face model bundle using HF_TOKEN if configured. Run containerized embedding extraction and write model bundles, per-readout .npy embeddings, canonical SMILES, and validity arrays to user-selected host directories.
- Publisher / source
- NVIDIA Skills (Verified)
- Upstream record
- NVIDIA/skills
- Version
- Version 2
- Published
- Publication review
- Approved for publication
- Content fingerprint
f6956e9574aaae3818cceb787f26cae29ab83235c0e8e24638a9ec0cf7ed2b45