Dataset · Hugging Face

lukaskim/cadd-instruct-raw

Name: cadd-instruct-raw
Creator: lukaskim
License: mit
Keywords: task_categories:text-generation, license:mit, size_categories:10M<n<100M, format:parquet, modality:text, library:datasets, library:dask, library:polars, library:mlcroissant, region:us, chemistry, drug-discovery, smiles, molecules, instruction-tuning

CADD-Instruct An instruction-tuning dataset for computer-aided drug design (CADD). It combines three complementary tasks: Conditional molecule generation (smileyllama, linkllama) — generate a SMILES string satisfying a set of physicochemical/structural constraints. Retrosynthesis / synthesis planning (synllama) — given a target molecule, produce a synthetic pathway of reaction templates and building blocks. Format Every row follows the standard instruction /… See the full description on the dataset page: https://huggingface.co/datasets/lukaskim/cadd-instruct-raw.

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Author / organization	lukaskim
License (as declared)	mit
Downloads	324 (as reported by Hugging Face)
Likes	0
Created	16 July 2026
Last updated at source	23 July 2026

chemistrydrug-discoverysmilesmoleculesinstruction-tuningretrosynthesissynthesis-planning

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