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pyKVFinder package uses GitHub for project management. Please help us by reporting any problems or requests.

On Issues page, you can file a:

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Thank you for helping us improve pyKVFinder!

Scientific team

pyKVFinder was developed by:

  • João Victor da Silva Guerra

  • Helder Veras Ribeiro Filho

  • Gabriel Ernesto Jara

  • Leandro Oliveira Bortot

  • José Geraldo de Carvalho Pereira

  • Paulo Sergio Lopes de Oliveira

Computational Biology Laboratory (LBC), Brazilian Biosciences National Laboratory (LNBio), Brazilian Center for Research in Energy and Materials (CNPEM)

If you have any further questions, inquires or if you wish to contribute to KVFinder project, please contact us at joao.guerra@lnbio.cnpem.br or paulo.oliveira@lnbio.cnpem.br.

Citing pyKVFinder

If you use pyKVFinder package, please cite:

Guerra, J. V. S., Ribeiro-Filho, H. V., Jara, G. E., Bortot, L. O., Pereira, J. G. C., & Lopes-de-Oliveira, P. S. (2021). pyKVFinder: an efficient and integrable Python package for biomolecular cavity detection and characterization in data science. BMC bioinformatics, 22(1), 607. https://doi.org/10.1186/s12859-021-04519-4.

If you use pyKVFinder.Molecule, please also cite:

Guerra, J. V. S., Alves, L. F. G., Bourissou, D., Lopes-de-Oliveira, P. S., & Szalóki, G. (2023). Cavity Characterization in Supramolecular Cages. Journal of chemical information and modeling, 63(12), 3772-3785. https://doi.org/10.1021/acs.jcim.3c00328.

Funding

This work was supported by the Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP) [Grant Number 2018/00629-0], Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq) [Grant Number 350244/2020-0], and Brazilian Center for Research in Energy and Materials (CNPEM).

License

The software is licensed under the terms of the GNU General Public License version 3 (GPL3) and is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details.