Abstract: Existing drug discovery pipelines take 5–10 years and cost billions of dollars. Computational approaches aim to sample from regions of the whole molecular and solid-state compounds called ...

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 ...

This molecule, composed of seven interconnected benzene rings and a cyano group (C₂₄H₁₁CN), was found in the cold, dark molecular cloud TMC-1, a region known for its rich chemistry and as ...

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