Datasets › TOMG-Bench
TOMG-Bench (Text-based Open Molecule Generation Benchmark)
In this paper, we propose Text-based Open Molecule Generation Benchmark (TOMG-Bench), the first benchmark to evaluate the open-domain molecule generation capability of LLMs. TOMG-Bench encompasses a dataset of three major tasks: molecule editing (MolEdit), molecule optimization (MolOpt), and customized molecule generation (MolCustom). Each task further contains three subtasks, with each subtask comprising 5,000 test samples. Given the inherent complexity of open molecule generation, we have also developed an automated evaluation system that helps measure both the quality and the accuracy of the generated molecules. Our comprehensive benchmarking of 25 LLMs reveals the current limitations and potential areas for improvement in text-guided molecule discovery. Furthermore, with the assistance of OpenMolIns, a specialized instruction tuning dataset proposed for solving challenges raised by TOMG-Bench, Llama3.1-8B could outperform all the open-source general LLMs, even surpassing GPT-3.5-turbo by 46.5\% on TOMG-Bench.
Benchmarks archive 2025-07-28
All 1 leaderboard whose dataset resolves to this page shown (sort by any header). "First row" is the archive's own first row at snapshot, in the archive's row order; nothing here re-ranks and metric direction is not asserted.
| First row (archive order) | Paper | Code | ||||
|---|---|---|---|---|---|---|
| Description-guided molecule generation | TOMG-Bench | Claude-3.5 wAcc 35.92 | TOMG-Bench: Evaluating LLMs on Text-based Open Molecule... | phenixace/tomg-bench | 25 | Compare |
Papers archive 2025-07-28
1 shown of 1 paper with a leaderboard row on this dataset's benchmarks, newest first. The archive's own "papers using this dataset" list was never published, so this is the benchmark-backed subset; the archive's count for this dataset is 2. The Syntology column is from Syntology's graph (read 2026-09-24), stated per sample; it is not part of any archive number.
| Date | Samples run Syntology | |||
|---|---|---|---|---|
| TOMG-Bench: Evaluating LLMs on Text-based Open Molecule Generation | 1 | 25 | 19 Dec 2024 | not harvested |
Dataset loaders archive 2025-07-28
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Tasks archive 2025-07-28
License archive 2025-07-28
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Modalities archive 2025-07-28
Languages archive 2025-07-28
Variants archive 2025-07-28
- TOMG-Bench
1 variant name, as the archive lists them.
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