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n-gao (Nicholas Gao) · GitHub

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Nicholas Gao n-gao

PhD Student @ TU Munich - Machine Learning on Graphs and Molecules

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  1. 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 30 4

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

    Python 11 2

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

    Python 5 1

  4. Implementation of Forward Laplacian algorithm in JAX

    Python 79 13

  5. SEML: Slurm Experiment Management Library

    Python 183 32

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