AIMS: Artificial Intelligence for Molecular Sciences

Coming soon...

The material world is made of atoms and molecules. Hence, the study of molecules, or molecular sciences, is fundamentally important. The application of molecular sciences has been driving the progress of almost every field in natural science. In recent decades, data and computation have become a powerful engine (known as in silico) for advancing molecular sciences. AIMS is IFI's innovative software solution that aims at the strategic intersection between artificial intelligence and molecular sciences.




QSPR modeling
Coarse-grained models
Molecular docking game
Drug hunting game


Adventure in Drug Discovery


This project is supported by the National Institutes of Health (NIH) under grant number R25GM150143 and the National Science Foundation (NSF) under grant number #2300976 Any opinions, findings, and conclusions or recommendations expressed in this material, however, are those of the authors and do not necessarily reflect the views of NIH and NSF.