Creative Commons (CC): This is a Creative Commons license. Attribution (BY): Credit must be given to the creator. Programming is a key transferable skill within the chemical sciences with applications ...

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 ...

Creative Commons (CC): This is a Creative Commons license. Attribution (BY): Credit must be given to the creator. In this paper, we present the recent advances in the computation of the ...

Everything on a computer is at its core a binary number, since computers do everything with bits that represent 0 and 1. In order to have a file that is "plain text", so human readable with minimal ...

One of the long-standing bottlenecks for researchers and data scientists is the inherent limitation of the tools they use for numerical computation. NumPy, the go-to library for numerical operations ...