# MolGVR: A Chemistry-Grounded Framework for Text-to-Molecule Generation

arXiv: https://arxiv.org/abs/2607.29479 · HTML: https://mlsanity.com/paper/2607.29479/

## Key facts

- No citing papers in the map yet (data through 14 Oct 2026).
- Builds on 22 of its 38 references that are in the map.
- First posted on arXiv 31 Jul 2026.

## Builds on (most cited first, 22 of 22)

- [Attention Is All You Need](https://mlsanity.com/paper/1706.03762/) (2017)
- [Exploring the Limits of Transfer Learning with a Unified Text-to-Text Transformer](https://mlsanity.com/paper/1910.10683/) (2019)
- [DeepSeekMath: Pushing the Limits of Mathematical Reasoning in Open Language Models](https://mlsanity.com/paper/2402.03300/) (2024)
- [LlamaFactory: Unified Efficient Fine-Tuning of 100+ Language Models](https://mlsanity.com/paper/2403.13372/) (2024)
- [MolCA: Molecular Graph-Language Modeling with Cross-Modal Projector and Uni-Modal Adapter](https://mlsanity.com/paper/2310.12798/) (2023)
- [LlaSMol: Advancing Large Language Models for Chemistry with a Large-Scale, Comprehensive, High-Quality Instruction Tuning Dataset](https://mlsanity.com/paper/2402.09391/) (2024)
- [Empowering Molecule Discovery for Molecule-Caption Translation with Large Language Models: A ChatGPT Perspective](https://mlsanity.com/paper/2306.06615/) (2023)
- [GIT-Mol: A Multi-modal Large Language Model for Molecular Science with Graph, Image, and Text](https://mlsanity.com/paper/2308.06911/) (2023)
- [MolXPT: Wrapping Molecules with Text for Generative Pre-training](https://mlsanity.com/paper/2305.10688/) (2023)
- [DrugAssist: A Large Language Model for Molecule Optimization](https://mlsanity.com/paper/2401.10334/) (2023)
- [Training a Scientific Reasoning Model for Chemistry](https://mlsanity.com/paper/2506.17238/) (2025)
- [BioT5+: Towards Generalized Biological Understanding with IUPAC Integration and Multi-task Tuning](https://mlsanity.com/paper/2402.17810/) (2024)
- [Text-Guided Molecule Generation with Diffusion Language Model](https://mlsanity.com/paper/2402.13040/) (2024)
- [Large Language Models are In-Context Molecule Learners](https://mlsanity.com/paper/2403.04197/) (2024)
- [Chem-R: Learning to Reason as a Chemist](https://mlsanity.com/paper/2510.16880/) (2025)
- [MolReasoner: Toward Effective and Interpretable Reasoning for Molecular LLMs](https://mlsanity.com/paper/2508.02066/) (2025)
- [Mol-R1: Towards Explicit Long-CoT Reasoning in Molecule Discovery](https://mlsanity.com/paper/2508.08401/) (2025)
- [LDMol: A Text-to-Molecule Diffusion Model with Structurally Informative Latent Space Surpasses AR Models](https://mlsanity.com/paper/2405.17829/) (2024)
- [Structural Reasoning Improves Molecular Understanding of LLM](https://mlsanity.com/paper/2410.05610/) (2024)
- [MolReFlect: Towards In-Context Fine-grained Alignments between Molecules and Texts](https://mlsanity.com/paper/2411.14721/) (2024)
- [3D-MolT5: Leveraging Discrete Structural Information for Molecule-Text Modeling](https://mlsanity.com/paper/2406.05797/) (2024)
- [MADD: Multi-Agent Drug Discovery Orchestra](https://mlsanity.com/paper/2511.08217/) (2025)

## Abstract (arXiv)

Text-to-molecule generation is typically formulated as a one-shot sequence generation problem, where a model directly maps target descriptions to molecular representations. However, molecular descriptions often contain informative structural constraints, and violating such constraints can change the molecular identity. This makes chemical verification and error correction important but underexplored. To fill this gap, we propose MolGVR, a chemistry-grounded Generator--Verifier--Refiner framework. The Generator infers structural evidence and generates candidate molecules. The Verifier addresses the lack of chemical validation by converting descriptions into chemical constraints and checking candidates against them. The Refiner addresses generation failures by revising candidates rejected by the Verifier. Experiments on ChEBI-20 and PCDes show that MolGVR improves exact-match performance. These results suggest that coupling generation with executable verification and feedback-guided refinement is an effective way to improve text-to-molecule generation.