Digichem: Computational Chemistry For Everybody

Digital Discovery, 2024, Accepted Manuscript
DOI: 10.1039/D4DD00147H, Paper

Open Access

&nbsp This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.

Oliver S Lee, Malte Gather, Eli Zysman-Colman
We describe a new tool for the efficient management of computational chemistry. Digichem is a program that automates and simplifies nearly the entire computational pipeline, including large-scale batch submission of…
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