Projects: pypi: cclib
https://packages.ecosyste.ms/registries/pypi.org/packages/cclib
cclib: parsers and algorithms for computational chemistry
34 versions
Latest release: almost 3 years ago
12 dependent packages
5,570 downloads last month
Science Score: 90/100
Starting Score: 100 points
Bonuses:
Penalties:
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-10
PyPI ecosystem
General-purpose ecosystem
Very Likely Science (90)
Papers Mentioning cclib 4
10.1186/1758-2946-3-37
Open Data, Open Source and Open Standards in chemistry: The Blue Obelisk five years onCited by: 61
Author(s): Noel M. O’Boyle, Rajarshi Guha, Egon Willighagen, Sam Adams, Jonathan Alvarsson, Jean‐Claude Bradley, Igor V. Filippov, Robert M. Hanson, Marcus D. Hanwell, Geoffrey Hutchison, Craig A. James, Nina Jeliazkova, Andrew S. Lang, Karol M. Langner, David Lonie, Daniel M. Lowe, Jérôme Pansanel, Д. С. Павлов, Ola Spjuth, Christoph Steinbeck, Adam L. Tenderholt, Kevin J. Theisen, Peter Murray‐Rust
Software Mentions: 4
Published: over 14 years ago
10.1002/chem.201501727
Origin of Orthogonality of Strain‐Promoted Click ReactionsCited by: 45
Author(s): J. Wagner, Davide Mercadante, Ivana Nikić, Edward A. Lemke, Frauke Gräter
Software Mentions: 1
Published: almost 11 years ago
10.1002/cphc.202001053
Experimental Quantum Chemistry: A Hammett‐inspired Fingerprinting of Substituent EffectsCited by: 7
Author(s): Francesco Sessa, Martina Olsson, Fredrik Söderberg, Fang Wang, Martin Rahm
Software Mentions: 1
Published: over 5 years ago
10.1038/s41597-020-00588-x
Quantum chemical calculations for over 200,000 organic radical species and 40,000 associated closed-shell moleculesCited by: 33
Author(s): Peter C. St. John, Yanfei Guan, Yeonjoon Kim, Brian D. Etz, Seonah Kim, Robert S. Paton
Software Mentions: 1
Published: almost 6 years ago