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A repository of machine-learning (ML) based exchange-correlation (XC) functionals

4 Updated Jul 12, 2025

A finite-element based CPU-GPU tool for accurate inverse DFT calculations

C++ 7 Updated Jan 20, 2026

DFT-FE: Real-space DFT calculations using Finite Elements

C++ 159 46 Updated Jul 6, 2026

A repository of demo scripts to use the NNLDA, NNGGA, and NNGGA-UEG exchange-correlation (XC) functionals

1 Updated Jul 12, 2025

Real-space DFT calculations using Enriched Finite Elements(EFE)

C++ 8 3 Updated Jul 21, 2026