Atomistic evaluation of different biomolecule adsorption over 2D-hBN sheet has been explored using density functional theory formalism. Detection of dopamine in complex extracellular matrix is an open ...

The fraction of sp3-hybridized carbons (Fsp3) and the fraction of stereogenic carbons (FCstereo) are two widely employed scores of molecular complexity with strong links to biologically relevant ...

Seaborn is a Python visualization library based on matplotlib. It provides a high-level interface for drawing attractive statistical graphics. Note that the main anaconda repository lags PyPI in ...

A Python wrapper for PaDEL-Descriptor software. Contribute to ecrl/padelpy development by creating an account on GitHub.

First-principles calculations are performed to compare the adsorption of CO, NH3, NO, and NO2 molecules on monolayer, bilayer, and heterobilayer MoS2 and WS2, using van der Waals corrected density ...

Abstract: Matplotlib is a 2D graphics package used for Python for application development, interactive scripting,and publication-quality image generation across user interfaces and operating systems ...