cclib 2.0: An updated architecture for interoperable computational chemistry

Eric Berquist, Amanda Dumi, Shiv Upadhyay, Omri D Abarbanel, Minsik Cho, Sagar Gaur, Victor Hugo Gano Gil, Geoffrey R Hutchison, Oliver S Lee, Andrew S Rosen, Sanjeed Schamnad, Felipe S S Schneider, Casper Steinmann, Maxim Stolyarchuk, Jonathon E Vandezande, Weronika Zak, Karol M Langner*

*Corresponding author for this work

Research output: Contribution to journalJournal articleResearchpeer-review

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Computer Science

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Pharmacology, Toxicology and Pharmaceutical Science