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docs: Add CITATION.cff
MoenMi Mar 9, 2026
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docs: Add DOI
MoenMi Mar 9, 2026
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22 changes: 22 additions & 0 deletions CITATION.cff
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Original file line number Diff line number Diff line change
@@ -0,0 +1,22 @@
cff-version: 1.2.0
message: "If you use this repository, please cite the following article."
title: "Chemical Space Network Tutorial"
type: software
preferred-citation:
type: article
title: "Visualizing chemical space networks with RDKit and NetworkX"
authors:
- family-names: Scalfani
given-names: Vincent F.
- family-names: Patel
given-names: Vishank D.
- family-names: Fernandez
given-names: Avery M.
journal: "Journal of Cheminformatics"
url: "https://doi.org/10.1186/s13321-022-00664-x"
doi: "10.1186/s13321-022-00664-x"
year: 2022
volume: 14
issue: 1
start: 87
publisher: Springer
3 changes: 2 additions & 1 deletion README.md
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Expand Up @@ -10,6 +10,8 @@ Scalfani, V.F., Patel, V.D. & Fernandez, A.M. Visualizing chemical space network
title={Visualizing chemical space networks with RDKit and NetworkX},
author={Scalfani, Vincent F and Patel, Vishank D and Fernandez, Avery M},
journal={Journal of Cheminformatics},
url={https://doi.org/10.1186/s13321-022-00664-x},
doi={10.1186/s13321-022-00664-x},
volume={14},
number={1},
pages={87},
Expand All @@ -31,4 +33,3 @@ Approximate run times for the `CSN_calculations_lessMem.py` script:
| 12th generation Intel Core i9, 64 GB RAM | 22 | 25 min |
| Raspberry Pi 5, 8 GB RAM | 3 | 3 hours |
| Raspberry Pi 400, 4 GB RAM | 3 | 5 hours |