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2024-11-28Improve README and example codeRanke Johannes7-21/+33
2024-11-28Update online docsJohannes Ranke20-116/+284
2024-08-05Set identifiers to NA if not initialized, add NEWSRanke Johannes44-402/+10681
2024-06-20Fix rdkit availability, prefer user/isomeric SMILESRanke Johannes174-89/+490
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.
2023-11-12Import URLencode from utils, rebuild docsJohannes Ranke6-12/+53
This was caught by pkgdown apparently not loading the utils package by default.
2023-11-12Add pkgdown url to DESCRIPTON and _pkgdown.ymlJohannes Ranke6-26/+29
2023-11-12Update to bootstrap 5Johannes Ranke83-695/+11577
2023-11-11Fix to the pai documentationJohannes Ranke6-11/+8
2023-11-11Start new version, rename pp to ppp, more docsRanke Johannes13-30/+555
2023-11-10Make an RStudio project and improve the docsRanke Johannes19-1512/+1073
2021-11-26Update README after switching to reticulateJohannes Ranke2-2/+2
2021-11-19Better approach to skip bcpc on travis, update docsJohannes Ranke3-10/+17
2021-11-19Add plot example, update static docsJohannes Ranke20-347/+1260
2019-02-21Use codecov and update docsJohannes Ranke1-0/+1
2019-02-19Use rsvg instead of grConvertJohannes Ranke10-11/+11
as grConvert is not on CRAN
2019-02-19Fix exampleJohannes Ranke1-2/+2
2019-02-19Only plot when a Picture object is thereJohannes Ranke2-4/+4
grConvert is not needed for plotting
2019-02-19Skip plotting in examples if grConvert is missingJohannes Ranke3-17/+22
2019-02-19Change package URL to github to get source code linksJohannes Ranke20-352/+879
2018-03-01Rebuild static documentation with current pkdownJohannes Ranke14-180/+541
2017-03-15Some minor cosmetics and pkgdown updateJohannes Ranke1-3/+3
2017-03-06Correct link to the reference on pkgdown.jrwb.deJohannes Ranke1-1/+1
2017-03-06Type on READMEJohannes Ranke1-1/+1
2017-03-06Delete leftovers from staticdocs, rerun pkgdownJohannes Ranke20-8638/+0
2017-03-06Update pkgdownJohannes Ranke2-2/+2
2017-03-06Switch to pkgdown and link to pkgdown.jrwb.deJohannes Ranke16-78/+1327
2016-09-27Add a bit of info to READMEJohannes Ranke1-0/+14
2016-09-27Add pp to the list of classes for staticdocsJohannes Ranke1-3/+3
2016-09-27Add staticdocsJohannes Ranke21-0/+8728

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