A Python package for easy molecular docking and docking benchmarking. We can dock molecules in a few lines of code from just a SMILES string! For details, see our paper and our website: García-Ortegón ...

A malicious package designed to steal private keys for Ethereum wallets has been uncovered within the Python Package Index (PyPI). According to Socket, this package – named ‘set-utils’ – masquerades ...

Tektronix has announced the introduction of an open-source Python instrument driver package. Available free of charge, the package provides a native Python user experience for instrument automation.

Abstract: NARA-WPE is a Python software package providing implementations of the weighted prediction error (WPE) dereverberation algorithm. WPE has been shown to be a ...

The field of machine learning for drug discovery is witnessing an explosion of novel methods. These methods are often benchmarked on simple physicochemical properties such as solubility or general ...

The purpose of this project is to show you how to create a standard python package from scratch. This project is inspired by this excellent getmyip package by ...

Abstract: We present auto_diff, a package that performs automatic differentiation of numerical Python code. auto_diff overrides Python's NumPy package's functions, augmenting them with seamless ...

Two malicious versions of two Python packages were introduced in the Python Package Index (PyPI) with the purpose of stealing SSH and GPG keys from Python developers' projects. One of them, using ...