Computational Chemistry

InstructMol: Multi-Modal Molecular Assistant

A multi-modal LLM aligning 2D molecular graphs with text via two-stage instruction tuning for drug discovery tasks.

Computational Chemistry

MERMaid: Multimodal Reaction Mining

Vision-language pipeline extracting chemical reaction data from PDF figures and tables into structured knowledge graphs …

Computational Chemistry

Multimodal Search in Chemical Documents

A multimodal search engine that integrates text passages, molecular diagrams, and reaction data to enable passage-level …

Computational Chemistry

ChemVLM: Multimodal LLM for Chemistry

A 26B parameter multimodal LLM for chemistry, combining InternViT-6B and ChemLLM-20B for molecular structure …