Equivariant diffusion for structure-based de novo ligand generation with latent-conditioning

Tuan Le, Julian Cremer, Djork-Arné Clevert, Kristof T. Schütt

Open source

DOI: 10.1186/s13321-025-01028-x
Published: 2025-05-31
Container: Journal of Cheminformatics
Publisher: Springer Science and Business Media LLC
Open access: unknown

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Cite this work

BibTeX

@article{allodium:10.1186/s13321-025-01028-x,
  title = {Equivariant diffusion for structure-based de novo ligand generation with latent-conditioning},
  author = {Tuan Le and Julian Cremer and Djork-Arné Clevert and Kristof T. Schütt},
  year = {2025},
  journal = {Journal of Cheminformatics},
  doi = {10.1186/s13321-025-01028-x},
  url = {https://doi.org/10.1186/s13321-025-01028-x}
}

RIS

TY  - JOUR
TI  - Equivariant diffusion for structure-based de novo ligand generation with latent-conditioning
AU  - Tuan Le
AU  - Julian Cremer
AU  - Djork-Arné Clevert
AU  - Kristof T. Schütt
PY  - 2025
JO  - Journal of Cheminformatics
DO  - 10.1186/s13321-025-01028-x
UR  - https://doi.org/10.1186/s13321-025-01028-x
ER  -

APA

Le, T., Cremer, J., Clevert, D., & Schütt, K. T. (2025). Equivariant diffusion for structure-based de novo ligand generation with latent-conditioning. Journal of Cheminformatics. https://doi.org/10.1186/s13321-025-01028-x

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crossref · retrieved 2026-09-26T07:24:39.432Z