RDKit

Biological & Workflow Fit

Compute & Hardware

Version and workload dependent; not independently benchmarked

Licensing & Academic Use

Check current distribution and dependency licences

Documented Evidence

Project documentation; no local benchmark

Use this citation format when referencing RDKit in scientific publications and benchmark papers.

@software{rdkit_2026,
  title = {{RDKit}},
  author = {{RDKit contributors}},
  year = {2026},
  url = {https://www.rdkit.org/docs/},
  note = {Indexed on aibioatlas - AI for Biology and Drug Discovery}
}