4 projects
qm9pack
A python module for data-mining the qm9 database
cebeconf
cebeconf: A package of machine-learning models for predicting 1s-core electron binding energies of CONF atoms in organic molecules.
pymoldis
A Python suite for data-mining the Quantum Chemistry Big Data developed through the MolDis project (https://moldis.tifrh.res.in/)
qmlspectrum
A test-suite that uses the package qml for modeling continuous spectra
