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rdkit
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knime-rdkit
The RDKit nodes for the KNIME Analytics Platform
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KNIME-1938: Improving node settings management
#155
manuelschwarze
opened
1 hour ago
0
KNIME-2072: Python integration regression tests revised
#154
manuelschwarze
opened
1 hour ago
0
Update RDKit binaries and JARs to 2024_09_2
#153
ptosco
closed
4 days ago
1
fix KNIME-2061
#152
ptosco
closed
1 week ago
2
KNIME-2010: Expose useMolBlockWedging flag in RDKit 2D Depiction Preferences
#151
manuelschwarze
closed
3 months ago
7
KNIME-1985: Migrated to KNIME 5.3
#150
manuelschwarze
closed
3 months ago
1
KNIME-1960 Update RDKit Binaries to 2024.03.4, Version 4.10.0
#149
manuelschwarze
closed
3 months ago
3
KNIME-1856: Adding Maven plugin to manage dependencies
#148
manuelschwarze
closed
7 months ago
0
KNIME-1808: Linux GraphMolWrap crashes KNIME UI on KNIME 4.7+
#147
manuelschwarze
closed
11 months ago
0
KNIME-1807: Bugfix for Rendering of RDKit molecules with aromatic bonds without kekulizing
#146
manuelschwarze
closed
11 months ago
0
KNIME-1797: Updated Copyright NIBR to Novartis Pharma
#145
manuelschwarze
closed
11 months ago
1
KNIME-1792: RDKit 2023_09_2 Binaries Update and Bugfixes (for issue #143)
#144
manuelschwarze
closed
11 months ago
0
RDKit Rooted Fingerprints Have Wrong Results in KNIME
#143
manuelschwarze
opened
11 months ago
0
Updated RDKit binaries to release 2023_09_2
#142
ptosco
closed
11 months ago
2
Combined cherry-picking from already approved PRs from nightly_pre4.7 to master
#141
manuelschwarze
closed
11 months ago
0
KNIME-132: Add additional columns to output tables of RDKit Reaction Nodes
#140
manuelschwarze
closed
11 months ago
0
KNIME-1762: Bugfix for RDKit Structure Normalizer dialog layout on Mac
#139
manuelschwarze
closed
1 year ago
0
KNIME-1725: New version number 4.8.0 for NIO support
#138
manuelschwarze
closed
1 year ago
0
KNIME-1704: RDKit FingerprintReader/Writer nodes migration to KNIME NIO
#137
manuelschwarze
closed
1 year ago
0
KNIME-1706: RDKit Structure Normalizer node migration to KNIME NIO
#136
manuelschwarze
closed
1 year ago
0
KNIME-1705 RDKit Functional Group Filter node migration to KNIME NIO
#135
manuelschwarze
closed
1 year ago
0
RDKit From Molecule node can't render molecule with wedged bond
#134
iwatobipen
opened
1 year ago
1
KNIME-1309: Support all port objects, not only data tables
#133
manuelschwarze
closed
1 year ago
0
KNIME-1695: Onboarding for KNIME 5.1
#132
manuelschwarze
closed
1 year ago
3
KNIME-1677: Updated OPSIN and OWASP Suppressions
#131
manuelschwarze
closed
1 year ago
0
KNIME-1692: Bugfix - SMILES RDKit depiction may display inverted stereochemistry
#130
manuelschwarze
closed
1 year ago
1
fix(KNIME-1623): ROMol.normalizeDepiction should be called with canonicalize=1
#129
ptosco
closed
1 year ago
0
KNIME-1569 Bugfix for rendering ROMol without conformer
#128
manuelschwarze
closed
1 year ago
0
KNIME-1569: Improve structure rendering control
#127
manuelschwarze
closed
1 year ago
0
KNIME-1582 Update OPSIN
#126
manuelschwarze
closed
1 year ago
0
KNIME-1547 BIRT reporting bugfix
#125
manuelschwarze
closed
1 year ago
0
KNIME-1499 Bugfix for RDKit on KNIME executor
#124
manuelschwarze
closed
1 year ago
0
KNIME-1497: Allow strict parsing flag control
#123
manuelschwarze
closed
1 year ago
8
KNIME-1496,KNIME-1478 Bugfixes in rendering
#122
manuelschwarze
closed
1 year ago
11
Update RDKit libs to Release 2022_09_3 and avoid missing symbols
#121
ptosco
closed
1 year ago
2
Feature/python3 knime4.7 support
#120
manuelschwarze
closed
1 year ago
2
KNIME-1400 RDKit Feature Updates for KNIME 4.6
#119
manuelschwarze
closed
1 year ago
1
KNIME-1473: Updated OPSIN to fix CVE-2022-40152 (com.fasterxml.woodstox)
#118
manuelschwarze
closed
1 year ago
0
Generated new versions of the libraries which report the correct RDKit version number (2022.09.2)
#117
ptosco
closed
1 year ago
2
KNIME-1429: Added preferences to control RDKit 2D Depiction
#116
manuelschwarze
closed
1 year ago
7
KNIME-1467: Update RDKit Binaries to 2022.09.2, Version bump 4.6.0
#115
manuelschwarze
closed
1 year ago
0
Refactor serializers to remove interdependencies of Python integrations
#114
chaubold
closed
1 year ago
1
Add value type names for extension types
#113
steffen-fissler
closed
1 year ago
6
Add new folder to build.properties
#112
chaubold
closed
2 years ago
0
Add RDKit type support for KNIME's new Python (Labs) integration.
#111
chaubold
closed
2 years ago
8
Enable successful OWASP dependency checks
#110
manuelschwarze
closed
2 years ago
0
What fingerprint settings does the RDKit Molecule Substructure Filter use?
#109
TraceLD
opened
2 years ago
1
Trying to understand the RDKit Aromatizer node and the comparison to 0 to determine success
#108
TraceLD
opened
2 years ago
4
Knime RDKit nodes "RDKit Canon Smiles" and "RDKit to InChI" are crashing Knime 4.4.4
#107
ddsneo4j
closed
2 years ago
11
Rendering defaults and render options
#106
kienerj
opened
2 years ago
0
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