mlsanityData to 7 Oct 2026

Mol-Instructions: A Large-Scale Biomolecular Instruction Dataset for Large Language Models

arXiv 2306.08018 ↗First posted 13 Jun 2023q-bio.QM cs.AI cs.CEcited by 131

Not on the map. Why?

Cited by 20 in LLM reasoning, but placed by its own abstract, which didn’t fit.

Abstract (arXiv)

Large Language Models (LLMs), with their remarkable task-handling capabilities and innovative outputs, have catalyzed significant advancements across a spectrum of fields. However, their proficiency within specialized domains such as biomolecular studies remains limited. To address this challenge, we introduce Mol-Instructions, a comprehensive instruction dataset designed for the biomolecular domain. Mol-Instructions encompasses three key components: molecule-oriented instructions, protein-oriented instructions, and biomolecular text instructions. Each component aims to improve the understanding and prediction capabilities of LLMs concerning biomolecular features and behaviors. Through extensive instruction tuning experiments on LLMs, we demonstrate the effectiveness of Mol-Instructions in enhancing large models' performance in the intricate realm of biomolecular studies, thus fostering progress in the biomolecular research community. Mol-Instructions is publicly available for ongoing research and will undergo regular updates to enhance its applicability.

Key facts. Cited by 131 papers in the map (data through 7 Oct 2026). Builds on 25 of its 81 references that are in the map. First posted on arXiv 13 Jun 2023.

Builds on

25 of 81 references.

References · 25

  1. 2023GPT-4 Technical Reportcited by 18,132
  2. 2022Training language models to follow instructions with human feedbackcited by 15,712
  3. 2023LLaMA: Open and Efficient Foundation Language Modelscited by 13,958
  4. 2021Evaluating Large Language Models Trained on Codecited by 8,053
  5. 2020Measuring Massive Multitask Language Understandingcited by 7,768
  6. 2022PaLM: Scaling Language Modeling with Pathwayscited by 5,304
  7. 2021Finetuned Language Models Are Zero-Shot Learnerscited by 3,747
  8. 2022Training Compute-Optimal Large Language Modelscited by 2,927
  9. 2022Self-Instruct: Aligning Language Models with Self-Generated Instructionscited by 2,674
  10. 2021Multitask Prompted Training Enables Zero-Shot Task Generalizationcited by 1,462
  11. 2017MoleculeNet: A Benchmark for Molecular Machine Learningcited by 1,037
  12. 2022GLM-130B: An Open Bilingual Pre-trained Modelcited by 837
13 more
  1. 2023Enhancing Chat Language Models by Scaling High-quality Instructional Conversationscited by 825
  2. 2022Galactica: A Large Language Model for Sciencecited by 736
  3. 2023ChemCrow: Augmenting large-language models with chemistry toolscited by 609
  4. 2022MedMCQA : A Large-scale Multi-Subject Multi-Choice Dataset for Medical domain Question Answeringcited by 525
  5. 2023Tool Learning with Foundation Modelscited by 302
  6. 2022Translation between Molecules and Natural Languagecited by 173
  7. 2022Multi-modal Molecule Structure-text Model for Text-based Retrieval and Editingcited by 165
  8. 2022A Molecular Multimodal Foundation Model Associating Molecule Graphs with Natural Languagecited by 129
  9. 2023Emergent autonomous scientific research capabilities of large language modelscited by 127
  10. 2023Unifying Molecular and Textual Representations via Multi-task Language Modellingcited by 92
  11. 2022SELFIES and the future of molecular string representationscited by 76
  12. 2021Fine-Tuning Large Neural Language Models for Biomedical Natural Language Processingcited by 57
  13. 2023Chinese Open Instruction Generalist: A Preliminary Releasecited by 35

Built on by

Cited by year (2026 to 7 Oct)

Citing papers per year: 2023: 7; 2024: 45; 2025: 38; 2026: 41.

131 papers.

Sort:

By area:

  1. 2023Large Language Models on Graphs: A Comprehensive Surveycited by 190
  2. 2023A Survey of Large Language Models for Healthcare: from Data, Technology, and Applications to Accountability and Ethicscited by 162
  3. 2024LlaSMol: Advancing Large Language Models for Chemistry with a Large-Scale, Comprehensive, High-Quality Instruction Tuning Datasetcited by 124
  4. 2024A Review of Large Language Models and Autonomous Agents in Chemistrycited by 96
  5. 2023InstructMol: Multi-Modal Integration for Building a Versatile and Reliable Molecular Assistant in Drug Discoverycited by 86
  6. 2024Scientific Large Language Models: A Survey on Biological & Chemical Domainscited by 80
  7. 2025Agentic AI for Scientific Discovery: A Survey of Progress, Challenges, and Future Directionscited by 74
  8. 2024Towards 3D Molecule-Text Interpretation in Language Modelscited by 65
  9. 2023DrugAssist: A Large Language Model for Molecule Optimizationcited by 57
  10. 2024Developing ChemDFM as a large language foundation model for chemistrycited by 51
  11. 2024Peer Review as A Multi-Turn and Long-Context Dialogue with Role-Based Interactionscited by 43
  12. 2023DARWIN Series: Domain Specific Large Language Models for Natural Sciencecited by 39
38 more
  1. 2024SciRIFF: A Resource to Enhance Language Model Instruction-Following over Scientific Literaturecited by 37
  2. 2024Improving Medical Reasoning through Retrieval and Self-Reflection with Retrieval-Augmented Large Language Modelscited by 34
  3. 2025A Survey of Scientific Large Language Models: From Data Foundations to Agent Frontierscited by 34
  4. 2024ChemReasoner: Heuristic Search over a Large Language Model's Knowledge Space using Quantum-Chemical Feedbackcited by 32
  5. 2024SciLitLLM: How to Adapt LLMs for Scientific Literature Understandingcited by 29
  6. 2023Structured Chemistry Reasoning with Large Language Modelscited by 27
  7. 2023nach0: Multimodal Natural and Chemical Languages Foundation Modelcited by 26
  8. 2026Intern-S1-Pro: Scientific Multimodal Foundation Model at Trillion Scalecited by 25
  9. 2024UniMoT: Unified Molecule-Text Language Model with Discrete Token Representationcited by 23
  10. 2024LLaMo: Large Language Model-based Molecular Graph Assistantcited by 22
  11. 2024Speak-to-Structure: Evaluating LLMs in Open-domain Natural Language-Driven Molecule Generationcited by 22
  12. 2024LLM4Mat-Bench: Benchmarking Large Language Models for Materials Property Predictioncited by 20
  13. 2025ChemDFM-R: A Chemical Reasoning LLM Enhanced with Atomized Chemical Knowledgecited by 20
  14. 2024A Fine-tuning Dataset and Benchmark for Large Language Models for Protein Understandingcited by 19
  15. 2024SciKnowEval: Evaluating Multi-level Scientific Knowledge of Large Language Modelscited by 19
  16. 2025Benchmarking Retrieval-Augmented Generation for Chemistrycited by 19
  17. 2024A quantitative analysis of knowledge-learning preferences in large language models in molecular sciencecited by 18
  18. 2025RAG-Enhanced Collaborative LLM Agents for Drug Discoverycited by 18
  19. 2024HIGHT: Hierarchical Graph Tokenization for Molecule-Language Alignmentcited by 17
  20. 2024SciSafeEval: A Comprehensive Benchmark for Safety Alignment of Large Language Models in Scientific Taskscited by 17
  21. 2024Leveraging Biomolecule and Natural Language through Multi-Modal Learning: A Surveycited by 16
  22. 2024ChemDFM-X: Towards Large Multimodal Model for Chemistrycited by 16
  23. 2025Mol-LLaMA: Towards General Understanding of Molecules in Large Molecular Language Modelcited by 16
  24. 2025ChemMLLM: Chemical Multimodal Large Language Modelcited by 16
  25. 2024From Words to Molecules: A Survey of Large Language Models in Chemistrycited by 14
  26. 2024RLSF: Fine-tuning LLMs via Symbolic Feedbackcited by 13
  27. 2026Graph is a Substrate Across Data Modalitiescited by 13
  28. 2024ProLLM: Protein Chain-of-Thoughts Enhanced LLM for Protein-Protein Interaction Predictioncited by 12
  29. 2024Advancing biomolecular understanding and design following human instructionscited by 10
  30. 20243D-MolT5: Leveraging Discrete Structural Information for Molecule-Text Modelingcited by 9
  31. 2024Can LLMs Generate Diverse Molecules? Towards Alignment with Structural Diversitycited by 9
  32. 2024EvoLlama: Enhancing LLMs' Understanding of Proteins via Multimodal Structure and Sequence Representationscited by 9
  33. 2025Enhancing Chemical Reaction and Retrosynthesis Prediction with Large Language Model and Dual-task Learningcited by 9
  34. 2025SciReasoner: Laying the Scientific Reasoning Ground Across Disciplinescited by 9
  35. 20243M-Diffusion: Latent Multi-Modal Diffusion for Language-Guided Molecular Structure Generationcited by 8
  36. 2025OCSU: Optical Chemical Structure Understanding for Molecule-centric Scientific Discoverycited by 8
  37. 2025mCLM: A Modular Chemical Language Model that Generates Functional and Makeable Moleculescited by 8
  38. 2025FGBench: A Dataset and Benchmark for Molecular Property Reasoning at Functional Group-Level in Large Language Modelscited by 8

50 most cited of 131 All 131 (JSON)