The ORCA Python Interface (OPI) is a Python library to create input and parse output of ORCA. It is designed as an open source community effort to make ORCA calculations as accessible as possible and ...

Abstract: Extensive research has been conducted to explore cryptographic API misuse in Java. However, despite the tremendous popularity of the Python language, uncovering similar issues has not been ...

pyCMD is an advanced, interactive command-line interface (CLI) meticulously crafted in Python. It's designed to transform your command-line workflow by integrating powerful, modern features directly ...

Abstract: Python has become the de facto language for scientific computing. Programming in Python is highly productive, mainly due to its rich science-oriented software ecosystem built around the ...