chents/docs/404.html, branch main Chemical entities as R objects (also on github) https://cgit.jrwb.de/chents/atom?h=main 2026-03-05T14:57:01Z Rebuild docs 2026-03-05T14:57:01Z Johannes Ranke johannes.ranke@jrwb.de 2026-03-05T14:57:01Z urn:sha1:525269a9f663d02546e2de22ddd79294cc246f57 Bump version for improved pai printing method 2026-03-05T10:14:53Z Johannes Ranke johannes.ranke@jrwb.de 2026-03-05T10:09:31Z urn:sha1:4e092707e70adac492b74197e6ceef5cdd09cc8d Also, improve the example demonstrating pais not found at BCPC Improve messages and README 2025-10-22T13:50:07Z Ranke Johannes johannes.ranke@agroscope.admin.ch 2025-10-22T13:50:07Z urn:sha1:e23bd3cfdaf3211c8ed63219e23204697108cb38 Use README.rmd in order to be able to include demo code and output in the README. Update online docs 2024-11-28T12:02:04Z Johannes Ranke jranke@uni-bremen.de 2024-11-28T12:02:04Z urn:sha1:7dadaf3fe9793afe7264125edc4e1f1ccd806dc0 Set identifiers to NA if not initialized, add NEWS 2024-08-05T16:41:45Z Ranke Johannes johannes.ranke@agroscope.admin.ch 2024-08-05T16:41:45Z urn:sha1:1b58327278038a1111a88c521e6992c15e0b17ea Fix rdkit availability, prefer user/isomeric SMILES 2024-06-20T12:57:23Z Ranke Johannes johannes.ranke@agroscope.admin.ch 2024-06-20T12:57:23Z urn:sha1:81dd5ed73a48ba811304ab9211d501b973eb640c In cases that the user specifies an isomeric SMILES, we want to use that with rdkit. If the user does not specify a SMILES, we prefer the isomeric one from PubChem over the canonical one, where stereochemistry is not defined. Add pkgdown url to DESCRIPTON and _pkgdown.yml 2023-11-12T21:11:33Z Johannes Ranke jranke@uni-bremen.de 2023-11-12T21:11:33Z urn:sha1:9828b97fb946104f15e537fc6a53653f1bceb27d Update to bootstrap 5 2023-11-12T21:07:06Z Johannes Ranke jranke@uni-bremen.de 2023-11-12T21:07:06Z urn:sha1:e4be5e83c8c525b3745d2d7813336319d10f8855 Start new version, rename pp to ppp, more docs 2023-11-11T07:23:28Z Ranke Johannes johannes.ranke@agroscope.admin.ch 2023-11-11T07:23:28Z urn:sha1:bf535e05f09864d5a88591d55bb8993b0619e57a Make an RStudio project and improve the docs 2023-11-10T18:21:11Z Ranke Johannes johannes.ranke@agroscope.admin.ch 2023-11-10T17:40:34Z urn:sha1:816de01ce642c1c3d633ffb1cbcf960036d27114