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Python API for NIST Chemistry WebBook
Python 39 6
A repository for physico-chemical data extracted from the NIST Chemistry WebBook
Python 8
Python API for the ILThermo 2.0 database with SMILES support
Python 6
Computational pipeline for analysis of MS data on polyethylene decomposition
Jupyter Notebook
Code for the analysis of intermolecular interactions based on CSD structural data
Python 1
Python package for the automated screening and discovery of octahedral and square-planar mononuclear metal complexes.
Python