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zinc15_190m

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zinc15_190m / README.md

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license: mit
task_categories:
  - text-generation
tags:
  - chemistry
size_categories:
  - 100M<n<1B

190M molecular structures (represented in SMILES format) randomly selected from ZINC15 database.

Used in the author's works: arxiv.org/abs/2407.20294 and arxiv.org/abs/2412.11439.

Dataset Card Author

Nianze TAO