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3D-e-Chem
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3D-e-Chem-VM
Virtual machine with all software and sample data to run 3D-e-Chem Knime workflows
https://3d-e-chem.github.io/3D-e-Chem-VM
Apache License 2.0
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Fig_2_Kinase_scaffold_hopping workflow
#31
Rdk0
opened
3 years ago
0
update changelog to add version 1.4.4
#30
felipeZ
closed
6 years ago
0
new Sygma and Kripo nodes default to Python3
#29
sverhoeven
closed
6 years ago
2
Use knime-node-collection feature instead of installing each node separately
#28
sverhoeven
closed
7 years ago
0
Add molviewer KNIME node to VM
#27
sverhoeven
closed
7 years ago
1
Close VM by sending shutdown signal does not work
#26
sverhoeven
opened
7 years ago
0
Remove old kernels
#25
sverhoeven
opened
7 years ago
0
Embed screencast video on documentation and website
#24
sverhoeven
opened
7 years ago
0
booting VM with v1.2.0 has disconnected network
#23
sverhoeven
closed
6 years ago
1
Kripo fragments.sqlite source moved
#22
sverhoeven
closed
8 years ago
0
Replace content of KNIME `3D-e-Chem-Workflows/` folder with repo
#21
sverhoeven
closed
8 years ago
1
Add Sygma Python library and KNIME nodes
#20
sverhoeven
closed
8 years ago
0
Kripodb sample data set renamed
#19
sverhoeven
closed
8 years ago
0
Add GPCRDB & Kripo pymol session files
#18
sverhoeven
closed
8 years ago
2
Modified tanimoto node install fails
#17
sverhoeven
closed
8 years ago
1
Add Kripo bioisosteric replacement workflow
#16
sverhoeven
closed
8 years ago
0
In knime workspace create workflows subfolder
#15
sverhoeven
closed
8 years ago
0
Add Klifs knime node & example
#14
sverhoeven
closed
8 years ago
0
Kripo Gpcr dataset
#13
sverhoeven
closed
8 years ago
0
Add medium size Kripo dataset
#12
sverhoeven
closed
8 years ago
1
Add code of conduct
#11
sverhoeven
closed
8 years ago
0
Add contribution guidelines
#10
sverhoeven
closed
8 years ago
0
Add CHANGELOG.md
#9
sverhoeven
closed
8 years ago
0
32 libraries
#8
RossBio
opened
8 years ago
1
More examples
#7
sverhoeven
closed
8 years ago
0
self upgrade script gets overwritten by cap
#6
sverhoeven
closed
8 years ago
0
Add example workflows
#5
sverhoeven
closed
8 years ago
0
Create VM from Chemical Analytics Platform
#4
sverhoeven
closed
8 years ago
0
Add Chembl postgresql
#3
sverhoeven
closed
8 years ago
1
Add rdkit
#2
sverhoeven
closed
8 years ago
1
Add postgresql
#1
sverhoeven
closed
8 years ago
1