graphpancake: a Python package for representing organic molecules as molecular graphs utilizing electronic structure theory.
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| Title: | graphpancake: a Python package for representing organic molecules as molecular graphs utilizing electronic structure theory. |
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| Authors: | Sil S; Department of Chemistry, Northwestern University, Evanston, IL, 60208, USA., Maskeri MA; Department of Chemistry, Northwestern University, Evanston, IL, 60208, USA., Scheidt KA; Department of Chemistry, Northwestern University, Evanston, IL, 60208, USA. scheidt@northwestern.edu. |
| Source: | Journal of cheminformatics [J Cheminform] 2026 Mar 31; Vol. 18 (1). Date of Electronic Publication: 2026 Mar 31. |
| Publication Type: | Journal Article |
| Journal Info: | Publisher: BioMed Central Country of Publication: England NLM ID: 101516718 Publication Model: Electronic Cited Medium: Print ISSN: 1758-2946 (Print) Linking ISSN: 17582946 NLM ISO Abbreviation: J Cheminform Subsets: PubMed not MEDLINE |
| Database: | MEDLINE Ultimate |
| ISSN: | 1758-2946 |
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| DOI: | 10.1186/s13321-026-01182-w |
