214 citations · 223 across the 3 of their papers we have counts for
3 papers
14 Examples of How LLMs Can Transform Materials Science and Chemistry: A Reflection on a Large Language Model Hackathon
Kevin Maik Jablonka, Qianxiang Ai, Alexander Al-Feghali +50
Large-language models (LLMs) such as GPT-4 caught the interest of many scientists. Recent studies suggested that these models could be useful in chemistry and materials science. To…
Bloom filters for molecules
Jorge Medina, Andrew D White
Ultra-large chemical libraries are reaching 10s to 100s of billions of molecules. A challenge for these libraries is to efficiently check if a proposed molecule is present. Here we…
An Easy to Use Repository for Comparing and Improving Machine Learning Algorithm Usage
Michael R. Smith, Andrew White, Christophe Giraud-Carrier +1
The results from most machine learning experiments are used for a specific purpose and then discarded. This results in a significant loss of information and requires rerunning expe…