We wrapped up the first LLM hackathon for applications in materials and chemistry last week. The results to me were astounding. We are at the point now where some tasks that took years can now be completed in days. Here is a list of the fantastic submissions!

@SamCox822 and Mark Caldras developed composable tools that combine structured queries to the Materials Project with LLM context creation, synthesis prediction, property prediction and more. @LangChainAI 🎉

Defne Circi and Shruti Badhwar developed GraphInsight to automatically create materials knowledge graphs via entity and relationship extraction with GPT4 backed by @neo4j. Their prototype example showed development of a materials knowledge graph for polymer nanocomposites. 👏

@jakublala and Sean Warren developed a conversational interface to 3dmol.js showing the power of incorporating language models on future interface design. 🥳

A team led by @QaiAlex fine tuned GPT-3 on examples from the open reaction database (ORD) and applied this to extract structured data from synthesis sections of papers. 🧑‍🔬

Elias Moubarak and team developed ClipDigest to summarize videos and fetch structured information from known databases (e.g., information on specific molecules mentioned) and speed learning. 📖

@z_HONG and @WardLT2 described the use of ScholarBERT to discover materials for green energy applications. 🚗 🔋

@drecmb and @60jaHa developed BOLLaMa to provide a new interface to chemical reaction optimization using Bayesian Optimization and LLMs. @EPFL 🦙

Ben Weiser and team worked to learn how well GPT3 understand SMILES strings - with applications in molecular fragmentation and using LLMs to optimize molecular properties using a genetic algorithm. @mcgillu 🤖

youtu.be/2IioRZ1Qq_Y

@IreneLopSci and her brother developed Phenomena to speed the understanding of disease phenotypes using LLMs to mine literature. 🚄

Such a fascinating and inspiring set of teams! For those who were unable to attend, we are planning another hackathon soon. If you are interested in participating, organizing, or sponsoring please reach out!

In the meantime, here are the kickoff videos.

Thank you so much to those who helped with planning and other logistics including @kmjablonka, @andrewwhite01, @kj_schmidt, @aristana_s, @ianfoster, @anthonycosta, Jim Warren, @sacdallago @nvidia and others 🙏

More news on the next hackathon and community building soon! 🚀