|
Support for new MDL Mol format
|
|
4
|
288
|
December 24, 2020
|
|
RDKIT error with KNIME 4.3: Could not load native RDKit library
|
|
4
|
122
|
December 26, 2020
|
|
How to define a peptide bond within a ring, using SMARTS?
|
|
6
|
110
|
December 5, 2020
|
|
sdf mol_file type to rdkit mol type
|
|
12
|
220
|
November 25, 2020
|
|
Salt stripper not keeping salt fragment
|
|
3
|
94
|
November 23, 2020
|
|
[bug] RDkit Knime Linux crashes vs Windows non crashes
|
|
5
|
156
|
November 16, 2020
|
|
RDKIT Installation KNIME 4.2.3
|
|
2
|
106
|
November 16, 2020
|
|
Bioisosteric replacement using SMARTS (KNIME and RDKit)
|
|
5
|
169
|
October 16, 2020
|
|
rdkit installation
|
|
0
|
112
|
October 2, 2020
|
|
Taking smiles from pubchem
|
|
1
|
169
|
October 1, 2020
|
|
RDKIT MCS makes KNIME crash
|
|
1
|
100
|
October 1, 2020
|
|
Creating 3D structures for Charged Compounds
|
|
1
|
161
|
September 18, 2020
|
|
Two Component Reaction node + MarvinSketch only works for aryl-aryl coupling
|
|
1
|
197
|
July 31, 2020
|
|
Generating 3D coordinates of compounds with hash and wedge bonds
|
|
2
|
142
|
July 17, 2020
|
|
RDKit + Simple Streaming
|
|
2
|
350
|
June 29, 2020
|
|
R-group Decomposition: Enumerating R-groups in the Core Smarts
|
|
2
|
176
|
June 10, 2020
|
|
Aromatized and Kekulized structures for TPSA calculation
|
|
7
|
176
|
June 10, 2020
|
|
Limitations about molecule size for geometry optimization?
|
|
4
|
419
|
May 18, 2020
|
|
Smarts string unreadable in Knime
|
|
2
|
155
|
May 17, 2020
|
|
RDKit molecule substructure filter
|
|
0
|
158
|
May 15, 2020
|
|
3D alignment of molecule
|
|
1
|
243
|
May 7, 2020
|
|
Having troubles with Reaction nodes again
|
|
4
|
141
|
April 29, 2020
|
|
KNIME crashes when table with RDKit molecule type is inspected
|
|
17
|
252
|
October 23, 2020
|
|
Geometry optimisation fails with MMFF94
|
|
1
|
185
|
March 7, 2020
|
|
Bug in RDKit Substructure Searching nodes
|
|
4
|
184
|
March 3, 2020
|
|
Issues with fingerprints for substructure searching
|
|
1
|
297
|
March 3, 2020
|
|
RDKit Library Loss
|
|
4
|
197
|
March 3, 2020
|
|
Degradation of RDKit Molecule Substructure Filter node?
|
|
10
|
527
|
February 16, 2020
|
|
“RDKit Two Component Reaction” node does not work.
|
|
0
|
236
|
January 13, 2020
|
|
Error to get RDkit from molecule
|
|
20
|
757
|
November 11, 2019
|
