AIRS is a collection of open-source software tools, datasets, and benchmarks associated with our paper entitled “Artificial Intelligence for Science in Quantum, Atomistic, and Continuum Systems”. Our focus here is on AI for Science, including AI for quantum, atomistic, and continuum systems. Our goal is to develop and maintain an integrated, open, reproducible, and sustainable set of resources in order to propel the emerging and rapidly growing field of AI for Science. The list of resources will grow as our research progresses. The current list includes:
- OpenQM: AI for Quantum Mechanics
- OpenDFT: AI for Density Functional Theory
- OpenMol: AI for Small Molecules
- OpenProt: AI for Protein Science
- OpenMat: AI for Materials Science
- OpenMI: AI for Molecular Interactions
- OpenPDE: AI for Partial Differential Equations
Here is the summary of methods we have in AIRS. More methods will be included as our research progresses.
| Quantum | Atomistic | Continuum | |
|---|---|---|---|
 OpenQM
 OpenDFT
|
 OpenMol
 OpenProt
|
 OpenMat
 OpenMI
|
 OpenPDE
|
We released our survey paper about artificial intelligence for science in quantum, atomistic, and continuum systems. Please check our paper and website for more details!