ChemDFM-X: Large Multimodal Model for Chemistry
A cross-modal chemical foundation model supporting 5 non-text modalities (2D graphs, 3D conformations, images, MS2 …
Chemical Language Models
Notes on language models for chemistry, from text-to-text translation (SMILES to IUPAC) to vision-language models integrating molecular images and text.
InstructMol: Multi-Modal Molecular Assistant
A multi-modal LLM aligning 2D molecular graphs with text via two-stage instruction tuning for drug discovery tasks.
MERMaid: Multimodal Reaction Mining
Vision-language pipeline extracting chemical reaction data from PDF figures and tables into structured knowledge graphs …
Multimodal Search in Chemical Documents
A multimodal search engine that integrates text passages, molecular diagrams, and reaction data to enable passage-level …
STOUT V2.0: SMILES to IUPAC Name Conversion
A Transformer-based model for translating SMILES to IUPAC names, trained on ~1 billion molecules, achieving ~99% …
STOUT: SMILES to IUPAC names using NMT
A deep-learning neural machine translation approach to translate between SMILES strings and IUPAC names using the STOUT …
Struct2IUPAC: Transformers for SMILES to IUPAC
A Transformer-based model for translating between SMILES strings and IUPAC names, trained on 47M PubChem examples, …
Translating InChI to IUPAC Names with Transformers
A Transformer-based model predicting IUPAC chemical names from InChI strings with 91% accuracy on organics.
ChemVLM: Multimodal LLM for Chemistry
A 26B parameter multimodal LLM for chemistry, combining InternViT-6B and ChemLLM-20B for molecular structure …