Topic: molecular-representation Goto Github
Some thing interesting about molecular-representation
Some thing interesting about molecular-representation
molecular-representation,Amons-based quantum machine learning for quantum chemistry
User: binghuang2018
molecular-representation,Tutorial for the generation of the MODA descriptor to predict magnetic exchange couplings. This repository is associated with the manuscript entitled "Unlocking the Predictive Power of Quantum-Inspired Representations for Intermolecular Properties in Machine Learning", by Raul Santiago, Sergi Vela, Mercè Deumal and Jordi Ribas-Arino, from the GEM2
Organization: gem2-ub
molecular-representation,This repository was created to provide code and data to support the article "Matrix of Orthogonalised Atomic Orbital Coefficients Representation for Radicals and Ions."
Organization: hits-ccc
molecular-representation,Python snippets for PyMOL to be run in Jupyterlab via the jupyterlab-snippets-multimenus extension.
User: mooerslab
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