- Shyue Ping Ong: Founding developer and current maintainer.
- William Davidson Richards: Responsible for many performance improvements and functionality, including the outstanding StructureMatcher and pure python cif io classes.
- Stephen Dacek: Responsible for many performance improvements and functionality, including the outstanding StructureMatcher.
- Anubhav Jain: Miscellaneous contributions to core classes.
- Geoffroy Hautier: Responsible for most of the electronic structure classes and analysis.
- Xiaohui Qu: Responsible for most QChem support.
- Matteo Giantomassi: Main contributor for all ABINIT support.
- Germain Salvato Vallverdu: Many contributions to Gaussian and NWChem support.
- Xin Chen: Many contributions to Gaussian and NWChem support.
- Michael Kocher: Early contributor to some core classes.
- Dan Gunter: Advised on some software development practices.
- Shreyas Cholia: Advised on some software development practices.
- Alan Dozier: Responsible for FEFF support.
- Vincent L Chevrier: Early contributor to some core classes.
- Rickard Armiento: Early contributor to some core classes.