Surajit Nandi's repositories
largeDFTdata
Data for QM9 molecules and reactions with 76 functionals and 3 basis sets
DFTbondDependency
Repository to calculate bond based correction to reaction energy from low-level DFT
chemsurajit
Config files for my GitHub profile.
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ComputeAnalysis
This is a repository which I used to do various plots in publications using other data. It's lazily written. So, less comments.
Language:PythonMIT000