Science Pilots
Advancing Scientific Discovery with Large Language Models and Knowledge Graphs
Advancing biomolecular understanding and design following human instructions
We present InstructBioMol, a large language model designed to bridge natural language and biomolecules through any-to-any alignments.
SciToolAgent: A Knowledge Graph-Driven Scientific Agent for Multi-Tool Integration
We present SciToolAgent, an LLM-powered agent that automates hundreds of scientific tools across biology, chemistry, and materials science.
Scientific Large Language Models: A Survey on Biological & Chemical Domains
We release a survey paper about scientific large language models, focusing on textual, molecular, protein and genomic languages, as well as their combination.
Retrosynthesis Prediction with An Iterative String Editing Model
We propose reframing single-step retrosynthesis prediction as a molecular string editing task, iteratively refining target molecule strings to generate precursor compounds.
Knowledge Graph-enhanced Molecular Contrastive Learning with Functional Prompt
We propose a method for knowledge graph-enhanced molecular contrastive learning with functional prompt (KANO).
Biology
Chemistry
Physics
Materials
Medicine