graphpancake: a Python package for representing organic molecules as molecular graphs utilizing electronic structure theory.

Sil S, Maskeri MA, Scheidt KA.

Open source

DOI: 10.1186/s13321-026-01182-w
Published: 2026-03-31
Container: J Cheminform
Publisher: Not recorded
Open access: yes

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Cite this work

BibTeX

@article{allodium:10.1186/s13321-026-01182-w,
  title = {graphpancake: a Python package for representing organic molecules as molecular graphs utilizing electronic structure theory.},
  author = {Sil S and  Maskeri MA and  Scheidt KA.},
  year = {2026},
  journal = {J Cheminform},
  doi = {10.1186/s13321-026-01182-w},
  url = {https://doi.org/10.1186/s13321-026-01182-w}
}

RIS

TY  - JOUR
TI  - graphpancake: a Python package for representing organic molecules as molecular graphs utilizing electronic structure theory.
AU  - Sil S
AU  -  Maskeri MA
AU  -  Scheidt KA.
PY  - 2026
JO  - J Cheminform
DO  - 10.1186/s13321-026-01182-w
UR  - https://doi.org/10.1186/s13321-026-01182-w
ER  -

APA

S, S., MA, M., & KA., S. (2026). graphpancake: a Python package for representing organic molecules as molecular graphs utilizing electronic structure theory.. J Cheminform. https://doi.org/10.1186/s13321-026-01182-w

Source records

europe-pmc · retrieved 2026-09-26T02:29:52.707Z
doaj · retrieved 2026-09-26T02:29:52.718Z