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1. pesnet pesnet Public

   Reference implementation of "Ab-Initio Potential Energy Surfaces by Pairing GNNs with Neural Wave Functions" (ICLR, 2022) and "Sampling-free Inference ob Ab-Initio Potential Energy Surface Networks…

   Python 31 4

2. neural-pfaffian neural-pfaffian Public

   Official implementation of "Neural Pfaffians: Solving Many Many-Electron Schrödinger Equations"

   Python 13 2

3. globe globe Public

   Reference implementation of "Generalizing Neural Wave Functions" (ICML 2023)

   Python 6 1

4. microsoft/folx microsoft/folx Public

   Implementation of Forward Laplacian algorithm in JAX

   Python 89 17

5. TUM-DAML/seml TUM-DAML/seml Public

   SEML: Slurm Experiment Management Library

   Python 185 34