rosecers

rosecers's Stars

• tsudalab/combo

  COMmon Bayesian Optimization

  Language:Python148141037

• jacopoantonello/zernike

  Python code for Zernike polynomials

  Language:Python13381237

• lab-cosmo/chemiscope

  An interactive structure/property explorer for materials and molecules

  Language:TypeScript1332012933

• glotzerlab/signac

  Manage large and heterogeneous data spaces on the file system.

  Language:Python1301326136

• scikit-learn-contrib/scikit-matter

  A collection of scikit-learn compatible utilities that implement methods born out of the materials science and chemistry communities

  Language:Python76177020

• libAtoms/workflow

  python workflow toolkit

  Language:Python35915718

• lab-cosmo/kernel-tutorials

  A set of utilities and pedagogic notebooks for the use of linear and kernel methods in atomistic modeling

  Language:Jupyter Notebook2017139

• aiidalab/aiidalab

  Implements core functions for AiiDAlab.

  Language:Python15511514

• cersonsky-lab/unsupervised-ml

  This git repository will serve as a companion to a forthcoming chapter in "Quantum Chemistry in the Age of Machine Learning"

  Language:Jupyter Notebook14200