summaryrefslogtreecommitdiff
AgeCommit message (Expand)AuthorFilesLines
15 hoursAdapt testHEADmainJohannes Ranke3-16/+6
6 daysImprove READMEJohannes Ranke7-12/+12
6 daysTypo in READMEJohannes Ranke6-6/+6
6 daysExplain consequence of chent objects being R6 objectsJohannes Ranke11-25/+306
6 daysUpdate online docsJohannes Ranke8-27/+27
6 daysSmall improvements, see NEWS.mdJohannes Ranke18-103/+135
2026-03-05Check services directly before use in testsJohannes Ranke2-0/+9
2026-03-05Address NOTES from winbuilderJohannes Ranke3-2/+7
2026-03-05Rebuild docsJohannes Ranke23-27/+1606
2026-03-05Don't run examples per defaultJohannes Ranke4-0/+18
2026-03-05Rerun tests with internetJohannes Ranke1-17/+7
2026-03-05Make test robust against unavailable servicesJohannes Ranke5-19/+40
2026-03-05Do not depend on RDKit in pai testJohannes Ranke15-198/+3360
2026-03-05Bump version for improved pai printing methodJohannes Ranke18-56/+114
2026-03-05Improve pai print method, remove Travis configRanke Johannes4-46/+6
2025-11-27Update test for current PubChem responseRanke Johannes1-4/+3
2025-10-23Remove .RhistoryRanke Johannes1-11/+0
2025-10-22Improve test coverage and use testthat 3rd editionRanke Johannes6-668/+671
2025-10-22Add new files for the transition to README.rmdRanke Johannes43-0/+31469
2025-10-22Merge remote-tracking branch 'refs/remotes/origin/main'Ranke Johannes1-3/+3
2025-10-22Improve messages and READMERanke Johannes72-156/+222
2025-10-22Test on Debian trixieJohannes Ranke2-4/+12
2025-10-22Adapt to new SMILES names at PubChemRanke Johannes13-66/+77
2024-12-05Fix a bug in the MakefileRanke Johannes1-1/+1
2024-12-02Add @description tags to R6 methodsJohannes Ranke9-79/+67
2024-11-28Merge remote-tracking branch 'refs/remotes/origin/main'Ranke Johannes4-2/+2
2024-11-28Update test logRanke Johannes2-13/+4
2024-11-28Update docsJohannes Ranke4-2/+2
2024-11-28Improve README and example codeRanke Johannes10-31/+43
2024-11-28Installation instructions and badgesRanke Johannes3-4/+37
2024-11-28Update online docsJohannes Ranke21-118/+287
2024-11-28Polish documentation and MakefileRanke Johannes14-632/+287
2024-08-05Fix a bug introduced by the last commitJohannes Ranke3-16/+37
2024-08-05Set identifiers to NA if not initialized, add NEWSRanke Johannes48-459/+10772
2024-07-22Update travis build status badgeRanke Johannes3-10/+2
2024-06-20Use first 27 chars from InChIKey if BCPC returns moreRanke Johannes2-4/+4
2024-06-20Fix rdkit availability, prefer user/isomeric SMILESRanke Johannes178-94/+516
2024-04-07Bump version and dateJohannes Ranke1-2/+2
2024-04-07Try to install python3-rdkit on travisJohannes Ranke1-0/+2
2024-04-07Improve reticulate startup codeJohannes Ranke2-6/+3
2024-04-05Delay loading of the rdkit moduleJohannes Ranke3-21/+26
2023-11-12Import URLencode from utils, rebuild docsJohannes Ranke8-73/+116
2023-11-12Add pkgdown url to DESCRIPTON and _pkgdown.ymlJohannes Ranke8-27/+32
2023-11-12Update to bootstrap 5Johannes Ranke84-695/+11578
2023-11-11Fix to the pai documentationJohannes Ranke8-21/+15
2023-11-11Start new version, rename pp to ppp, more docsRanke Johannes22-166/+982
2023-11-10Make an RStudio project and improve the docsRanke Johannes27-1604/+1364
2023-06-09Update links in READMEJohannes Ranke1-3/+3
2023-06-09Move reticulate to suggestsJohannes Ranke1-3/+3
2022-11-11Update docs, use run.sh on travisJohannes Ranke6-105/+172

Contact - Imprint