Differentiable quantum chemistry package. Currently only support differentiable density functional theory (DFT) and Hartree-Fock (HF) calculation.

Installation, tutorials, and documentations can be found at: https://dqc.readthedocs.io/

Here is a list of applications made easy by DQC. If you want your applications listed here, please contact us by opening an issue or make a pull request.

Applications	Repo	Paper
Learning xc functional from experimental data
Basis optimization
Alchemical perturbation