Browse State-of-the-Art › Description-guided molecule generation
Description-guided molecule generation
2 papers with code · 1 benchmark · 1 dataset archive 2025-07-28
The significance of description-based molecule generation lies in its potential to streamline the process of molecular design by enabling the production of molecules that directly meet the criteria outlined in a given description. This facilitates a more targeted approach in the creation and optimization of novel molecules, with applications in diverse fields such as drug discovery and materials science.
Description from the archive archive 2025-07-28.
Benchmarks archive 2025-07-28
1 leaderboard table shown for this task, 1 with rows (a “benchmark” on this site is a table with at least one row, as on /sota), ordered by row count. “Best model” is the first row in the archive's own order at snapshot; nothing is re-ranked here and metric direction is not recorded in the archive. PwC's Trend sparklines are not in the archive, so that column is omitted.
| Dataset | Best model (first row in archive order) | Paper | Code | Syntology | Compare |
|---|---|---|---|---|---|
| TOMG-Bench (25 rows) | Claude-3.5 | TOMG-Bench: Evaluating LLMs on Text-based Open Molecule Generation | code | — | Compare |
Syntology column: samples harvested from the paper's repositories and executed on synthesized fixtures; “ran” is not a correctness claim and does not order the table. A dash means no Syntology record for that paper, not a recorded non-run. Read from the graph 2026-09-24.
Libraries
Not in the archive: the export carries no per-task library table, so there is nothing to show at snapshot 2025-07-28.
Datasets archive 2025-07-28
1 dataset whose archive record lists this task, ordered by the archive's paper count.
Subtasks archive 2025-07-28
No subtask under this task in the archive's task tree.
Most implemented papers archive 2025-07-28
2 shown of 2 papers with code (2 tagged with this task in all), ordered by repositories listed in the archive, not by stars (the archive holds no stars, so PwC's “Social” and “Latest” sorts cannot be reproduced). Papers without a page here are shown as plain text.
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19 Dec 2024 1 repository listedIn 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.
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13 Jun 2023 1 repository listed Syntology ran 2 of 2 samples · 0 unverifiedLarge Language Models (LLMs), with their remarkable task-handling capabilities and innovative outputs, have catalyzed significant advancements across a spectrum of fields.
Syntology lines on 1 of the papers shown; no Syntology record for the others (a paper without an arXiv id cannot be joined to the graph, and absence from the graph layer is not a recorded non-run). “Ran” means the sample executed on a synthesized fixture, not that the paper's result was reproduced. Read from the graph 2026-09-24.
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