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Projektbeschreibung

A collection of cheminformatics and machine-learning software written in C++ and Python.

The core algorithms and data structures are written in C++. Wrappers are provided to use the toolkit from either Python or Java.

Additionally, the RDKit distribution includes a PostgreSQL-based cartridge that allows molecules to be stored in relational database and retrieved via substructure and similarity searches.

Systemanforderungen

Betriebssystem: POSIX (Linux,BSD,Solaris etc..), BSD, Windows XP

Download-Paketliste

Latest 5 files
Name Größe Datum Anzahl der Downloads
RDKit_2016_03_1.tgz 25.7 MB 2016-04-19 23:51 34
RDKit_2016_03_1.win32.java.zip 3.6 MB 2016-04-19 23:50 34
RDKit_2016_03_1.win32.py27.zip 24.9 MB 2016-04-19 23:50 74
RDKit_2016_03_1.win64.java.zip 4.4 MB 2016-04-19 23:50 34
RDKit_2016_03_1.win64.py27.zip 27.4 MB 2016-04-19 23:50 25
All Files
rdkit
Q1_2016
RDKit_2016_03_1.tgz25.7 MB2016-04-19 23:5134
RDKit_2016_03_1.win32.java.zip3.6 MB2016-04-19 23:5034
RDKit_2016_03_1.win32.py27.zip24.9 MB2016-04-19 23:5074
RDKit_2016_03_1.win64.java.zip4.4 MB2016-04-19 23:5034
RDKit_2016_03_1.win64.py27.zip27.4 MB2016-04-19 23:5025
README10.7 KB2016-04-19 23:499
Q1_2015
README8.7 KB2015-05-09 15:3220
RDKit_2015_03_1.win32.java.zip3.2 MB2015-05-09 15:265
RDKit_2015_03_1.win64.java.zip4.0 MB2015-05-09 15:2620
RDKit_2015_03_1.win64.py27.zip24.5 MB2015-05-09 15:2617
RDKit_2015_03_1.win32.py27.zip22.5 MB2015-05-09 15:2613
RDKit_2015_03_1.tgz24.3 MB2015-05-09 15:245
Q3_2014
README0.5 KB2014-12-13 14:087
RDKit_2014_09_2.win32.java.zip3.0 MB2014-12-13 14:077
RDKit_2014_09_2.win64.java.zip3.7 MB2014-12-13 14:072
RDKit_2014_09_2.win64.py27.zip23.6 MB2014-12-13 14:078
RDKit_2014_09_2.win32.py27.zip21.9 MB2014-12-13 14:079
RDKit_2014_09_2.tar.gz23.4 MB2014-12-13 14:0610
RDKit_2014_09_1.win32.py27.zip21.9 MB2014-11-10 13:229
RDKit_2014_09_1.win64.java.zip3.7 MB2014-10-30 15:088
RDKit_2014_09_1.win32.java.zip3.0 MB2014-10-30 15:086
RDKit_2014_09_1.win64.py27.zip23.7 MB2014-10-30 15:087
RDKit_2014_09_1.tgz23.4 MB2014-10-30 12:321
Q1_2014
README6.4 KB2014-05-11 16:262
RDKit_2014_03_1.win64.py27.zip23.0 MB2014-05-11 15:264
RDKit_2014_03_1.win64.java.zip3.5 MB2014-05-11 15:236
RDKit_2014_03_1.win32.py27.zip21.3 MB2014-05-11 15:231
RDKit_2014_03_1.win32.java.zip2.9 MB2014-05-11 15:194
RDKit_2014_03_1.tgz23.1 MB2014-05-11 15:197
Q3_2013
RDKit_2013_09_2.win64.py27.zip22.4 MB2014-01-28 13:343
RDKit_2013_09_2.win32.py27.zip20.8 MB2014-01-28 13:315
RDKit_2013_09_2.win64.java.zip3.5 MB2014-01-28 13:263
RDKit_2013_09_1.win32.java.zip2.8 MB2014-01-28 13:2511
README6.2 KB2014-01-28 12:281
RDKit_2013_09_2.tgz22.8 MB2014-01-28 12:253
RDKit_2013_09_1.win64.java.zip3.5 MB2013-11-02 21:532
RDKit_2013_09_1.win64.py27.zip22.4 MB2013-11-02 21:524
RDKit_2013_09_1.win32.py27.zip20.8 MB2013-11-02 21:4512
RDKit_2013_09_1.tgz22.8 MB2013-11-02 21:375
Q2_2013
RDKit_2013_06_1.win64.py27.zip16.9 MB2013-07-28 19:4850
RDKit_2013_06_1.win32.py27.zip15.4 MB2013-07-28 19:462
README2.7 KB2013-07-28 18:294
RDKit_2013_06_1.tgz13.2 MB2013-07-28 18:288
Q1_2013
RDKit_2013_03_2.win32.py27.zip15.4 MB2013-05-01 20:515
RDKit_2013_03_2.win64.py27.zip16.9 MB2013-05-01 20:426
README5.3 KB2013-05-01 16:256
RDKit_2013_03_2.tgz13.2 MB2013-05-01 16:231
RDKit_2013_03_1.win32.py27.zip15.4 MB2013-04-27 16:143
RDKit_2013_03_1.win64.py27.zip16.9 MB2013-04-27 15:434
RDKit_2013_03_1.tgz13.2 MB2013-04-27 13:450
Q4_2012
RDKit_2012_12_1.win32.py27.zip14.9 MB2013-01-22 13:577
RDKit_2012_12_1.tgz12.9 MB2013-01-22 13:534
README4.7 KB2013-01-22 13:511
Q3_2012
RDKit_2012_09_1.win32.py27.zip14.5 MB2012-10-21 11:5310
RDKit_2012_09_1.win32.py26.zip14.5 MB2012-10-21 11:502
RDKit_2012_09_1.tgz12.5 MB2012-10-20 23:292
README5.0 KB2012-10-20 23:262
Q2_2012
README4.3 KB2012-07-11 13:083
RDKit_2012_06_1.win32.py26.zip15.2 MB2012-07-11 13:081
RDKit_2012_06_1.win32.py27.zip15.2 MB2012-07-11 12:592
RDKit_2012_06_1.tgz10.9 MB2012-07-11 11:402
Q1_2012
RDKit_2012_03_1.win32.py27.zip14.7 MB2012-04-13 13:349
RDKit_2012_03_1.win32.py26.zip14.7 MB2012-04-13 13:302
RDKit_2012_03_1.tgz10.9 MB2012-04-13 13:261
README2.9 KB2012-04-13 13:240
Q4_2011
RDKit_2011_12_1.win32.py26.zip14.5 MB2012-01-15 14:543
RDKit_2011_12_1.win32.py27.zip14.5 MB2012-01-15 13:522
README3.7 KB2012-01-15 12:534
RDKit_2011_12_1.tgz10.8 MB2012-01-15 12:513
Q3_2011
RDKit_2011_09_1.win32.py27.zip17.2 MB2011-10-18 20:514
RDKit_2011_09_1.win32.py26.zip15.4 MB2011-10-09 12:241
README2.3 KB2011-10-08 14:422
RDKit_2011_09_1.tgz10.8 MB2011-10-08 14:340
Q2 2011
RDKit_2011_06_1.win32.py26.zip14.6 MB2011-07-12 12:150
RDKit_2011_06_1.win32.java.zip2.3 MB2011-07-11 13:141
RDKit_2011_06_1.win32.py27.zip14.6 MB2011-07-11 13:131
README2.5 KB2011-07-11 12:225
RDKit_2011_06_1.tgz10.8 MB2011-07-11 12:223
Q1_2011
RDKit_2011_03_2.win32.py27.zip12.0 MB2011-04-22 13:252
RDKit_2011_03_2.win32.py26.zip12.0 MB2011-04-22 13:224
RDKit_2011_03_2.tgz9.1 MB2011-04-21 13:114
README2.8 KB2011-04-09 12:535
Q4_2010
RDKit_2010_12_1.win32.py26.zip12.0 MB2011-01-14 13:554
README46.0 KB2011-01-14 13:062
RDKit_2010_12_1.tgz9.1 MB2011-01-14 12:580
Q3_2010
ReleaseNotes.txt41.9 KB2010-10-03 21:233
RDKit_2010_09_1.win32.py26.zip12.3 MB2010-10-03 19:172
RDKit_2010_09_1.tgz9.0 MB2010-10-03 15:060
Q2_2010
RDKit_Q22010_1.win32.py25.zip12.6 MB2010-07-09 13:006
RDKit_Q22010_1.win32.py26.zip12.7 MB2010-07-01 04:2622
RDKit_Q22010_1.tgz9.6 MB2010-06-30 13:412
ReleaseNotes.txt38.2 KB2010-06-30 13:372
Q1_2010
RDKit_Q12010_1.win32.py26.zip13.1 MB2010-04-25 17:583
RDKit_Q12010_1.tgz10.3 MB2010-04-25 14:303
ReleaseNotes.txt34.8 KB2010-04-25 14:263
Q4_2009
RDKit_Q42009_1.win32.py25.zip12.9 MB2010-01-29 14:380
RDKit_Q42009_1.win32.py26.zip12.9 MB2010-01-28 15:1719
ReleaseNotes.txt33.1 KB2010-01-28 14:324
RDKit_Q42009_1.tar.gz10.4 MB2010-01-28 14:280
Q3_2009
RDKit_Q32009_1.win32.py25.zip13.1 MB2009-10-18 15:213
RDKit_Q32009_1.win32.py26.zip13.1 MB2009-10-18 14:340
ReleaseNotes.txt1.6 KB2009-10-17 22:181
RDKit_Q32009_1.tar.gz11.9 MB2009-10-17 22:165
Q2_2009
RDKit_Q22009_1.win32.tgz11.9 MB2009-06-29 12:533
RDKit_Q22009_1.tgz12.0 MB2009-06-29 12:491
Q1_2009
RDKit_Q12009_2.tgz11.0 MB2009-04-04 01:134
Q4_2008
RDKit_Q42008_1.win32.tgz12.4 MB2009-01-15 06:092
RDKit_Q42008_1.tgz11.9 MB2009-01-15 04:503
documentation
Q1_2009
RDKit_Q12009_2.docs.tgz5.6 MB2009-04-04 01:1611
Q4_2008
RDKit_Q42008_1.docs.tgz5.2 MB2009-01-15 13:5811
OldFiles
RDKit_Q12009_1.docs.tgz5.6 MB2009-04-03 13:207
RDKit_Q12009_1.tgz11.0 MB2009-04-03 13:096
RDKit_Q32008_1.win32.tgz19.3 MB2008-10-07 14:372
RDKit_Q32008_1.tgz18.5 MB2008-10-07 14:100
RDKit_May2008_1.win32.py25.tgz11.3 MB2008-05-25 14:341
GettingStartedInPython.May2008.pdf244.7 KB2008-05-25 14:1226
RDKit_May2008_1.tgz11.2 MB2008-05-25 14:094
RDKit_Jan2008_1.win32.tar.gz11.2 MB2008-02-21 04:572
RDKit_Jan2008_1.tgz11.3 MB2008-02-21 03:143
RDKit_Jan2008_1beta3.tgz11.4 MB2008-02-01 05:080
RDKit_Jan2008_1beta2.win32.tar.gz10.7 MB2008-01-17 04:4919
RDKit_Jan2008_1beta2.tgz11.3 MB2008-01-17 03:020
RDKit_Jan2008_1beta1.tgz11.4 MB2008-01-16 14:068
rdkit_boost_1_34_1_gcc41.bin.tgz9.1 MB2007-09-21 14:543
RDKit_Aug2007.win32.tgz10.4 MB2007-08-17 13:121
RDKit_Aug2007Release1.tgz11.1 MB2007-08-16 14:111
GettingStartedInPython.pdf249.6 KB2007-08-16 14:0828
RDKit_April2007.win32.tgz9.4 MB2007-05-03 12:504
RDKit_AprilRelease1.tgz10.3 MB2007-05-03 12:442
GettingStartedInPython.April2007.pdf221.1 KB2007-04-28 13:2234
RDKit_JanRelease.win32.tgz8.5 MB2007-01-08 14:387
RDKit_JanRelease1.tgz10.0 MB2007-01-08 14:252
RDKit_ReleaseOct2006_1.tgz10.0 MB2006-10-28 15:061
RDKit.0.0.1.tgz9.4 MB2006-04-15 08:567