- ๐ญ I'm a computational chemist / materials scientist working towards my PhD...
- ๐ ... in lab COSMO at EPFL, Lausanne, Switzerland...
- ๐ก ... currently working on machine learning the real-space densities of electronic states in condensed matter...
- ๐ฑ ... whilst more broadly interested in building software for integrated ML models for electronic structure theory...
- ๐ซ ... and contactable at [email protected] or on X @jwasci !
jwa7 / scikit-matter Goto Github PK
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A collection of scikit-learn compatible utilities that implement methods born out of the materials science and chemistry communities
Home Page: https://scikit-matter.readthedocs.io/en/v0.2.0/
License: BSD 3-Clause "New" or "Revised" License