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1. sail-sg/stde sail-sg/stde Public

   Official implementation of Stochastic Taylor Derivative Estimator (STDE) NeurIPS2024

   Python 128 9

2. sail-sg/d4ft sail-sg/d4ft Public

   A JAX library for Density Functional Theory.

   Python 54 5

3. sail-sg/jrystal sail-sg/jrystal Public

   A JAX-based Differentiable Density Functional Theory Framework for Materials

   Python 42 1