(ChemBERT) Automated Chemical Reaction Extraction from Scientific Literature Journal of Chemical Information and Modeling 2022
[Paper] [GitHub] [Model (Base)]

(MatSciBERT) MatSciBERT: A Materials Domain Language Model for Text Mining and Information Extraction npj Computational Materials 2022
[Paper] [GitHub] [Model (Base)]

(MatBERT) Quantifying the Advantage of Domain-Specific Pre-training on Named Entity Recognition Tasks in Materials Science Patterns 2022
[Paper] [GitHub]

(BatteryBERT) BatteryBERT: A Pretrained Language Model for Battery Database Enhancement Journal of Chemical Information and Modeling 2022
[Paper] [GitHub] [Model (Base)]

(MaterialsBERT) A General-Purpose Material Property Data Extraction Pipeline from Large Polymer Corpora using Natural Language Processing npj Computational Materials 2023
[Paper] [Model (Base)]

(Recycle-BERT) Recycle-BERT: Extracting Knowledge about Plastic Waste Recycling by Natural Language Processing ACS Sustainable Chemistry & Engineering 2023
[Paper] [GitHub]

(CatBERTa) Catalyst Property Prediction with CatBERTa: Unveiling Feature Exploration Strategies through Large Language Models ACS Catalysis 2023
[Paper] [GitHub]

(LLM-Prop) LLM-Prop: Predicting Physical and Electronic Properties of Crystalline Solids from Their Text Descriptions arXiv 2023
[Paper] [GitHub]

(ChemDFM) ChemDFM: Dialogue Foundation Model for Chemistry arXiv 2024
[Paper] [GitHub] [Model (13B)]

(CrystalLLM) Fine-Tuned Language Models Generate Stable Inorganic Materials as Text ICLR 2024
[Paper] [GitHub]

(ChemLLM) ChemLLM: A Chemical Large Language Model arXiv 2024
[Paper] [Model (7B)]

(LlaSMol) LlaSMol: Advancing Large Language Models for Chemistry with a Large-Scale, Comprehensive, High-Quality Instruction Tuning Dataset COLM 2024
[Paper] [GitHub] [Model (6.7B, Galactica)] [Model (7B, LLaMA-2)] [Model (7B, Mistral)]

(KALE-LM) KALE-LM: Unleash The Power Of AI For Science Via Knowledge And Logic Enhanced Large Model arXiv 2024
[Paper] [Model (8B)]

(Text2Mol) Text2Mol: Cross-Modal Molecule Retrieval with Natural Language Queries EMNLP 2021
[Paper] [GitHub]

(KV-PLM) A Deep-learning System Bridging Molecule Structure and Biomedical Text with Comprehension Comparable to Human Professionals Nature Communications 2022
[Paper] [GitHub] [Model (Base)]

(MolT5) Translation between Molecules and Natural Language EMNLP 2022
[Paper] [GitHub] [Model (60M)] [Model (220M)] [Model (770M)]

(MoMu) A Molecular Multimodal Foundation Model Associating Molecule Graphs with Natural Language arXiv 2022
[Paper] [GitHub]

(MoleculeSTM) Multi-modal Molecule Structure-text Model for Text-Based Retrieval and Editing Nature Machine Intelligence 2023
[Paper] [GitHub]

(Text+Chem T5) Unifying Molecular and Textual Representations via Multi-task Language Modelling ICML 2023
[Paper] [GitHub] [Model (60M)] [Model (220M)]

(GIMLET) GIMLET: A Unified Graph-Text Model for Instruction-Based Molecule Zero-Shot Learning NeurIPS 2023
[Paper] [GitHub] [Model (60M)]

(MolFM) MolFM: A Multimodal Molecular Foundation Model arXiv 2023
[Paper] [GitHub]

(MolCA) MolCA: Molecular Graph-Language Modeling with Cross-Modal Projector and Uni-Modal Adapter EMNLP 2023
[Paper] [GitHub]

(MolLM) MolLM: A Unified Language Model for Integrating Biomedical Text with 2D and 3D Molecular Representations Bioinformatics 2024
[Paper] [GitHub]

(InstructMol) InstructMol: Multi-Modal Integration for Building a Versatile and Reliable Molecular Assistant in Drug Discovery COLING 2025
[Paper] [GitHub]

(3D-MoLM) Towards 3D Molecule-Text Interpretation in Language Models ICLR 2024
[Paper] [GitHub]

(SMILES-BERT) SMILES-BERT: Large Scale Unsupervised Pre-training for Molecular Property Prediction ACM BCB 2019
[Paper] [GitHub]

(MAT) Molecule Attention Transformer arXiv 2020
[Paper] [GitHub]

(ChemBERTa) ChemBERTa: Large-Scale Self-Supervised Pretraining for Molecular Property Prediction arXiv 2020
[Paper] [GitHub] [Model (125M)]

(MolBERT) Molecular Representation Learning with Language Models and Domain-Relevant Auxiliary Tasks arXiv 2020
[Paper] [GitHub] [Model (Base)]

(rxnfp) Mapping the Space of Chemical Reactions using Attention-Based Neural Networks Nature Machine Intelligence 2021
[Paper] [GitHub] [Model (Base)]

(RXNMapper) Extraction of Organic Chemistry Grammar from Unsupervised Learning of Chemical Reactions Science Advances 2021
[Paper] [GitHub]

(MoLFormer) Large-Scale Chemical Language Representations Capture Molecular Structure and Properties Nature Machine Intelligence 2022
[Paper] [GitHub] [Model (47M)]

(Chemformer) Chemformer: A Pre-trained Transformer for Computational Chemistry Machine Learning: Science and Technology 2022
[Paper] [GitHub] [Model (45M)] [Model (230M)]

(R-MAT) Relative Molecule Self-Attention Transformer Journal of Cheminformatics 2024
[Paper] [GitHub]

(MolGPT) MolGPT: Molecular Generation using a Transformer-Decoder Model Journal of Chemical Information and Modeling 2022
[Paper] [GitHub]

(T5Chem) Unified Deep Learning Model for Multitask Reaction Predictions with Explanation Journal of Chemical Information and Modeling 2022
[Paper] [GitHub]

(ChemGPT) Neural Scaling of Deep Chemical Models Nature Machine Intelligence 2023
[Paper] [Model (4.7M)] [Model (19M)] [Model (1.2B)]

(Uni-Mol) Uni-Mol: A Universal 3D Molecular Representation Learning Framework ICLR 2023
[Paper] [GitHub]

(TransPolymer) TransPolymer: A Transformer-Based Language Model for Polymer Property Predictions npj Computational Materials 2023
[Paper] [GitHub]

(polyBERT) polyBERT: A Chemical Language Model to Enable Fully Machine-Driven Ultrafast Polymer Informatics Nature Communications 2023
[Paper] [GitHub] [Model (86M)]

(MFBERT) Large-Scale Distributed Training of Transformers for Chemical Fingerprinting Journal of Chemical Information and Modeling 2022
[Paper] [GitHub]

(SPMM) Bidirectional Generation of Structure and Properties Through a Single Molecular Foundation Model Nature Communications 2024
[Paper] [GitHub]

(BARTSmiles) BARTSmiles: Generative Masked Language Models for Molecular Representations Journal of Chemical Information and Modeling 2024
[Paper] [GitHub] [Model (406M)]

(MolGen) Domain-Agnostic Molecular Generation with Self-feedback ICLR 2024
[Paper] [GitHub] [Model (406M, BART)] [Model (7B, LLaMA)]

(SELFormer) SELFormer: Molecular Representation Learning via SELFIES Language Models Machine Learning: Science and Technology 2023
[Paper] [GitHub] [Model (58M)] [Model (87M)]

(PolyNC) PolyNC: A Natural and Chemical Language Model for the Prediction of Unified Polymer Properties Chemical Science 2024
[Paper] [GitHub] [Model (220M)]