Quantum Chemistry Regression

Relevant Papers

  • Solid Harmonic Wavelet Scattering for Predictions of Molecule Properties. With Michael Eickenberg, Georgios Exarchakis, Stéphane Mallat and Louis Thiry. 2018. pdf.
  • Solid Harmonic Wavelet Scattering. With Michael Eickenberg, Georgios Exarchakis and Stéphane Mallat. Advances in Neural Information Processing Systems 30 (NIPS 2017), pages 6543-6552, 2017. pdf, NIPS Proceedings.
  • Wavelet Scattering Regression of Quantum Chemical Energies. With Stéphane Mallat and Nicolas Poilvert. Multiscale Modeling and Simulation, volume 15, issue 2, 827-863, 2017. pdfarXiv, MMSSoftware.
  • Quantum Energy Regression using Scattering Transforms. With Nicolas Poilvert and Stéphane Mallat. 2015. pdfarXiv.