Bioconductor Code: ChemmineR

Graph of ChemmineR

e47622d (HEAD -> devel, origin/master, origin/devel, origin/HEAD) fixed several bugs related it single atom compounds by khoran <khoran@cs.ucr.edu> 2023-11-07 11:23:22 -0800;
485f5b1 bump x.y.z version to odd y following creation of RELEASE_3_18 branch by J Wokaty <jennifer.wokaty@sph.cuny.edu> 2023-10-24 09:40:48 -0400;
19385e6 (origin/RELEASE_3_18, RELEASE_3_18) bump x.y.z version to even y prior to creation of RELEASE_3_18 branch by J Wokaty <jennifer.wokaty@sph.cuny.edu> 2023-10-24 09:40:48 -0400;
f362c57 added method sdfid<- by khoran <khoran@cs.ucr.edu> 2023-07-13 09:58:00 -0700;
8d64310 fixed changing return type of groups function by khoran <khoran@cs.ucr.edu> 2023-07-04 10:41:34 -0700;
a1a4b61 bump x.y.z version to odd y following creation of RELEASE_3_17 branch by J Wokaty <jwokaty@users.noreply.github.com> 2023-04-25 09:47:42 -0400;
444df16 (origin/RELEASE_3_17, RELEASE_3_17) bump x.y.z version to even y prior to creation of RELEASE_3_17 branch by J Wokaty <jwokaty@users.noreply.github.com> 2023-04-25 09:47:42 -0400;
9a00986 updated swig code with version 4.x by khoran <khoran@cs.ucr.edu> 2023-02-03 11:48:05 -0800;
1a080c6 bump x.y.z version to odd y following creation of RELEASE_3_16 branch by J Wokaty <jennifer.wokaty@sph.cuny.edu> 2022-11-01 11:04:08 -0400;
79a4b34 (origin/RELEASE_3_16, RELEASE_3_16) bump x.y.z version to even y prior to creation of RELEASE_3_16 branch by J Wokaty <jennifer.wokaty@sph.cuny.edu> 2022-11-01 11:04:08 -0400;
5839a09 require bibtex library to fix CITATION bug by khoran <khoran@cs.ucr.edu> 2022-07-28 06:10:43 -0700;
5214816 fixed bug in sdf2smiles by khoran <khoran@cs.ucr.edu> 2022-05-26 09:05:55 -0700;
3262ce3 bump x.y.z version to odd y following creation of RELEASE_3_15 branch by Nitesh Turaga <nitesh.turaga@gmail.com> 2022-04-26 15:02:02 +0000;
6eb6f02 (origin/RELEASE_3_15, RELEASE_3_15) bump x.y.z version to even y prior to creation of RELEASE_3_15 branch by Nitesh Turaga <nitesh.turaga@gmail.com> 2022-04-26 15:02:02 +0000;
90dd7ae fixed v3000 bugs, added info to vigenette by khoran <khoran@cs.ucr.edu> 2022-03-25 06:34:47 -0700;
af38985 bump x.y.z version to odd y following creation of RELEASE_3_14 branch by Nitesh Turaga <nitesh.turaga@gmail.com> 2021-10-26 15:53:04 +0000;
a998b14 (origin/RELEASE_3_14, RELEASE_3_14) bump x.y.z version to even y prior to creation of RELEASE_3_14 branch by Nitesh Turaga <nitesh.turaga@gmail.com> 2021-10-26 15:53:04 +0000;
13ab93a updated vignette by khoran <khoran@cs.ucr.edu> 2021-10-18 11:20:41 -0700;
998a16d Merge pull request <a href="#12">#12</a> from lz100/master by Thomas Girke <tgirke@citrus.ucr.edu> 2021-10-07 11:21:53 -0700;
5a9fad3 Update ChemmineR.Rmd by LeZhang <35240440+lz100@users.noreply.github.com> 2021-10-06 20:49:54 -0700;
2766ea9 vignette update by lz100 <lzhan140@ucr.edu> 2021-10-06 12:59:43 -0700;
e6365cc vignette update by lz100 <lzhan140@ucr.edu> 2021-10-06 12:57:43 -0700;
2038ea5 Merge remote-tracking branch 'upstream/master' by khoran <khoran@cs.ucr.edu> 2021-10-06 11:43:03 -0700;
3c83ef2 finishing touches on merge from Le Zhang by khoran <khoran@cs.ucr.edu> 2021-10-06 11:38:50 -0700;
b6b22be new pubchem functions (#11) by LeZhang <35240440+lz100@users.noreply.github.com> 2021-10-06 10:48:16 -0700;
57ce093 bump x.y.z version to odd y following creation of RELEASE_3_13 branch by Nitesh Turaga <nitesh.turaga@gmail.com> 2021-05-19 15:42:00 +0000;
6a834ab (origin/RELEASE_3_13, RELEASE_3_13) bump x.y.z version to even y prior to creation of RELEASE_3_13 branch by Nitesh Turaga <nitesh.turaga@gmail.com> 2021-05-19 15:42:00 +0000;
f62f944 fixed some failing tests by khoran <khoran@cs.ucr.edu> 2021-04-26 11:12:05 -0700;
64dd7b9 fixed rmarkdown error by khoran <khoran@cs.ucr.edu> 2021-04-19 11:19:42 -0700;
704a6bd check for supported chemmineOB platform by khoran <khoran@cs.ucr.edu> 2021-04-12 10:16:44 -0700;
7a23a8c fixed openBabelPlot for multiple compounds by khoran <khoran@cs.ucr.edu> 2021-03-12 12:21:08 -0800;
d1536d5 (origin/RELEASE_3_12, RELEASE_3_12) disable chemmineob tests by khoran <khoran@cs.ucr.edu> 2021-02-25 10:09:29 -0800;
258f0d7 update vignette layout by khoran <khoran@cs.ucr.edu> 2021-01-25 11:57:05 -0800;
3047632 updated version by khoran <khoran@cs.ucr.edu> 2021-01-06 14:16:12 -0800;
e6b4872 updated version by khoran <khoran@cs.ucr.edu> 2021-01-06 13:43:12 -0800;
66a18dd fixed unit test by khoran <khoran@cs.ucr.edu> 2021-01-06 21:40:29 +0000;
fae985e bump x.y.z version to odd y following creation of RELEASE_3_12 branch by Nitesh Turaga <nitesh.turaga@gmail.com> 2020-10-27 10:34:35 -0400;
07bfe34 bump x.y.z version to even y prior to creation of RELEASE_3_12 branch by Nitesh Turaga <nitesh.turaga@gmail.com> 2020-10-27 10:34:35 -0400;
db24d96 removed deprecated web functions by khoran <khoran@cs.ucr.edu> 2020-10-14 10:57:40 -0700;
78a023d deactivated test that only fails on bioc by khoran <khoran@cs.ucr.edu> 2020-10-14 10:25:33 -0700;
69f5433 fixed unit test error. Removed build dependancy on ChemmineOB by khoran <khoran@cs.ucr.edu> 2020-10-12 12:18:07 -0700;
d62c204 bump x.y.z version to odd y following creation of RELEASE_3_11 branch by Nitesh Turaga <nitesh.turaga@gmail.com> 2020-04-27 18:18:14 +0000;
dc28e93 (origin/RELEASE_3_11, RELEASE_3_11) bump x.y.z version to even y prior to creation of RELEASE_3_11 branch by Nitesh Turaga <nitesh.turaga@gmail.com> 2020-04-27 18:18:14 +0000;
6c20e6f changed many occurances of using class function to is.xxx or inherits. fixes bug introduced in R 4.0 regarding matrix classes by khoran <khoran@cs.ucr.edu> 2020-02-13 16:47:28 -0800;
2529fe3 enable writing V3000 sdf objects in V3000 file format by khoran <khoran@cs.ucr.edu> 2020-02-07 15:51:12 -0800;
2358785 bump x.y.z version to odd y after creation of RELEASE_3_10 branch by Nitesh Turaga <nitesh.turaga@gmail.com> 2019-10-29 13:34:51 -0400;
1cbe310 (origin/RELEASE_3_10, RELEASE_3_10) bump x.y.z version to even y prior to creation of RELEASE_3_10 branch by Nitesh Turaga <nitesh.turaga@gmail.com> 2019-10-29 13:07:59 -0400;
4324ad9 change pubchemCidToSDF to batch calls to pubchem to better handle large arguments by khoran <khoran@cs.ucr.edu> 2019-07-24 09:47:06 -0700;
b5b10fa bump x.y.z versions to odd y after creation of RELEASE_3_9 branch by Nitesh Turaga <nitesh.turaga@gmail.com> 2019-05-02 12:10:48 -0400;
ce66605 (origin/RELEASE_3_9, RELEASE_3_9) bump x.y.z versions to even y prior to creation of RELEASE_3_9 branch by Nitesh Turaga <nitesh.turaga@gmail.com> 2019-05-02 11:53:11 -0400;
2906861 added largestComponent function by khoran <khoran@cs.ucr.edu> 2019-03-18 10:12:04 -0700;
174f7e5 no functional changes by khoran <khoran@cs.ucr.edu> 2019-03-14 09:58:51 -0700;
ba8aad1 modified rings man page to clarify a few things by khoran <khoran@cs.ucr.edu> 2018-12-05 08:49:25 -0800;
90e03ea fixed bug in cmp.cluster that would sometimes cause the lower right corner of the distance matrix to have a distance of 1 by khoran <khoran@cs.ucr.edu> 2018-11-28 13:59:26 -0800;
99e7aeb change DUD() function to download database directly by khoran <khoran@cs.ucr.edu> 2018-11-28 13:00:09 -0800;
578d85a fixed bug in pubchemName2CID by khoran <khoran@cs.ucr.edu> 2018-11-19 09:54:41 -0800;
717eb0c added function to fetch pubchem ids from compound names by khoran <khoran@cs.ucr.edu> 2018-11-14 16:43:03 -0800;
a8b1e28 (origin/RELEASE_3_8, RELEASE_3_8) merged bugfix by khoran <khoran@cs.ucr.edu> 2018-11-14 13:50:13 -0800;
cf48ec9 fixed bug in searchSim by khoran <khoran@cs.ucr.edu> 2018-11-14 13:47:42 -0800;
67c8ef7 bump x.y.z versions to odd y after creation of RELEASE_3_8 branch by vobencha <vobencha@gmail.com> 2018-10-30 11:54:28 -0400;
cb04e43 bump x.y.z versions to even y prior to creation of RELEASE_3_8 branch by vobencha <vobencha@gmail.com> 2018-10-30 11:41:45 -0400;
ffa855f added biocview Metabolomics by khoran <khoran@cs.ucr.edu> 2018-10-22 13:34:24 -0700;
7a8feee Clean up use of biocLite & add BiocManager to Suggests field by Hervé Pagès <hpages@fredhutch.org> 2018-09-06 12:14:17 -0700;
c9427bc additional updates from BiocInstaller to BiocManager by LiNk-NY <marcel.ramosperez@roswellpark.org> 2018-09-06 15:50:37 +0000;
2a846b2 replace BiocInstaller biocLite mentions with BiocManager by LiNk-NY <mramos09@gmail.com> 2018-08-29 15:34:17 -0400;
efd2dff added openbabelPlot function to vignette by khoran <khoran@cs.ucr.edu> 2018-07-25 09:45:35 -0700;
250da3c increased line thickness in open babel SVG plots by khoran <khoran@cs.ucr.edu> 2018-07-25 08:44:29 -0700;
fd105a4 (origin/RELEASE_3_7, RELEASE_3_7) added openBabelPlot function by khoran <khoran@cs.ucr.edu> 2018-05-30 09:27:39 -0700;
5c85442 forgot to update version and date in last commit by khoran <khoran@cs.ucr.edu> 2018-05-30 08:58:10 -0700;
17602da re-enabled openBabelPlot with rsvg by khoran <khoran@cs.ucr.edu> 2018-05-23 13:57:41 -0700;
6494001 bump x.y.z versions to odd y after creation of RELEASE_3_7 branch by vobencha <valerie.obenchain@roswellpark.org> 2018-04-30 10:41:37 -0400;
2499086 bump x.y.z versions to even y prior to creation of RELEASE_3_7 branch by vobencha <valerie.obenchain@roswellpark.org> 2018-04-30 10:35:10 -0400;
8a0c610 added section to vignette about data tables. fixed bug in example. by khoran <khoran@cs.ucr.edu> 2018-04-13 09:18:21 -0700;
dac54de added SDFDataTable function, updated NEWS file by khoran <khoran@cs.ucr.edu> 2018-04-11 17:39:34 -0700;
612af5d modify read.SDFset to be able to skip over parse errors by khoran <khoran@cs.ucr.edu> 2018-03-28 13:25:24 -0700;
0d726d7 removed openBabelPlot for now, until rsvg package is available by khoran <khoran@cs.ucr.edu> 2018-02-21 13:49:57 -0800;
a496e87 (origin/RELEASE_3_6, RELEASE_3_6) remove vignette makefile by khoran <khoran@cs.ucr.edu> 2018-02-12 14:53:21 -0800;
48067d7 remove vignette makefile by khoran <khoran@cs.ucr.edu> 2018-02-12 14:52:07 -0800;
f274bbe use svg format as intermediate format for openBabelPlot, since png format fails on windows by khoran <khoran@cs.ucr.edu> 2018-02-05 15:21:25 -0800;
a7d58af added test for plotting functions by khoran <khoran@cs.ucr.edu> 2018-02-05 09:19:25 -0800;
7111f07 set version for release branch by khoran <khoran@cs.ucr.edu> 2018-01-07 10:14:49 -0800;
a2615e9 bump x.y.z versions to even y prior to creation of RELEASE_3_6 branch by Hervé Pagès <hpages@fredhutch.org> 2017-10-30 12:39:24 -0400;
5a1ad6f History was rolled back 6 months to remove dup commits. All changes since then are being re-applied in this one commit. by khoran <khoran@cs.ucr.edu> 2018-01-07 09:44:16 -0800;
fb7c8ed bump x.y.z versions to odd y after creation of RELEASE_3_6 branch by Hervé Pagès <hpages@fredhutch.org> 2017-10-30 12:52:08 -0400;
73c4cb1 bump x.y.z versions to even y prior to creation of RELEASE_3_6 branch by Hervé Pagès <hpages@fredhutch.org> 2017-10-30 12:39:24 -0400;
8210e1e (origin/RELEASE_3_5, RELEASE_3_5) fix for RSQLite 2 by Kevin Horan <khoran@cs.ucr.edu> 2017-06-30 21:37:15 +0000;
e3a8d21 Merge branch 'master' into devel by Kevin Horan <khoran@cs.ucr.edu> 2017-06-30 20:12:52 +0000;
bdd61d9 Merge branch 'master' into devel by Kevin Horan <khoran@cs.ucr.edu> 2017-06-22 14:59:09 +0000;
06124f1 Merge branch 'master' into devel by Kevin Horan <khoran@cs.ucr.edu> 2017-06-14 17:01:27 +0000;
3205210 bump x.y.z versions to odd y after creation of 3_5 branch by Herve Pages <hpages@fhcrc.org> 2017-04-24 19:50:57 +0000;
ea04163 Creating branch for BioC 3.5 release by Herve Pages <hpages@fhcrc.org> 2017-04-24 19:45:44 +0000;
91d84e9 bump x.y.z versions to even y prior to creation of 3_5 branch by Herve Pages <hpages@fhcrc.org> 2017-04-24 19:25:24 +0000;
77242ad Processed vignettes (PDF or HTML) don't belong to the package source tree and are actually harmful. by Herve Pages <hpages@fhcrc.org> 2017-04-17 19:09:05 +0000;
559c6a8 Merge branch 'rsql_1.1_fix' into devel by Kevin Horan <khoran@cs.ucr.edu> 2016-11-30 20:23:22 +0000;
7c09881 (origin/RELEASE_3_4, RELEASE_3_4) fixed code to work with RSQLite 1.1 by Kevin Horan <khoran@cs.ucr.edu> 2016-11-30 19:47:08 +0000;
4415be0 bump x.y.z versions to odd 'y' after creation of 3_4 branch by Herve Pages <hpages@fhcrc.org> 2016-10-17 19:10:43 +0000;
5b868a5 Creating branch for BioC 3.4 release by Herve Pages <hpages@fhcrc.org> 2016-10-17 19:00:47 +0000;
6a9436c bump x.y.z versions to even 'y' prior to creation of 3_4 branch by Herve Pages <hpages@fhcrc.org> 2016-10-17 18:45:06 +0000;
2ad0cc4 rolled back to work with RSQL 1.0.0 by Kevin Horan <khoran@cs.ucr.edu> 2016-10-15 16:22:45 +0000;
907f6cd make everything work with RSQLite 1.1 by Kevin Horan <khoran@cs.ucr.edu> 2016-10-12 22:00:41 +0000;