Age | Commit message (Collapse) | Author | Files | Lines | |
---|---|---|---|---|---|
2024-08-05 | Set identifiers to NA if not initialized, add NEWS | Ranke Johannes | 1 | -32/+21 | |
2024-06-20 | Fix rdkit availability, prefer user/isomeric SMILES | Ranke Johannes | 1 | -19/+9 | |
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. | |||||
2023-11-12 | Add pkgdown url to DESCRIPTON and _pkgdown.yml | Johannes Ranke | 1 | -1/+1 | |
2023-11-12 | Update to bootstrap 5 | Johannes Ranke | 1 | -50/+45 | |
2023-11-11 | Start new version, rename pp to ppp, more docs | Ranke Johannes | 1 | -1/+1 | |
2023-11-10 | Make an RStudio project and improve the docs | Ranke Johannes | 1 | -35/+38 | |
2021-11-26 | Update README after switching to reticulate | Johannes Ranke | 1 | -1/+1 | |
2021-11-19 | Better approach to skip bcpc on travis, update docs | Johannes Ranke | 1 | -2/+2 | |
2021-11-19 | Add plot example, update static docs | Johannes Ranke | 1 | -13/+18 | |
2019-02-21 | Use codecov and update docs | Johannes Ranke | 1 | -0/+1 | |
2019-02-19 | Use rsvg instead of grConvert | Johannes Ranke | 1 | -1/+1 | |
as grConvert is not on CRAN | |||||
2019-02-19 | Skip plotting in examples if grConvert is missing | Johannes Ranke | 1 | -14/+13 | |
2019-02-19 | Change package URL to github to get source code links | Johannes Ranke | 1 | -28/+54 | |
2018-03-01 | Rebuild static documentation with current pkdown | Johannes Ranke | 1 | -6/+20 | |
2017-03-06 | Correct link to the reference on pkgdown.jrwb.de | Johannes Ranke | 1 | -1/+1 | |
2017-03-06 | Type on README | Johannes Ranke | 1 | -1/+1 | |
2017-03-06 | Update pkgdown | Johannes Ranke | 1 | -1/+1 | |
2017-03-06 | Switch to pkgdown and link to pkgdown.jrwb.de | Johannes Ranke | 1 | -78/+72 | |
2016-09-27 | Add a bit of info to README | Johannes Ranke | 1 | -0/+14 | |
2016-09-27 | Add staticdocs | Johannes Ranke | 1 | -0/+90 | |