GitHub

• stde
  Official implementation of Stochastic Taylor Derivative Estimator (STDE) NeurIPS2024, a fast amortized PINN solver for PDEs.

• d4ft
  Differentiable Density Functional Theory (DFT) for molecular system written in JAX. We have implemented Obara-Saika based GTO integrator that is differentiable so one can do basis set optimization very easily. We are still working on improving the efficiency of the GTO integral codes.