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chembl
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mychembl
Resources used to create the myChEMBL virtual machine
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in 10 machine learning
#40
zeromtmu
opened
6 years ago
2
Beaker similarity maps call not working
#39
madgpap
opened
7 years ago
0
KNIME file not found
#38
madgpap
closed
7 years ago
1
Deprecate pandas
#37
madgpap
closed
7 years ago
2
reconcile Beakers
#36
madgpap
opened
7 years ago
0
replace CTAB with SMILES in text
#35
madgpap
opened
7 years ago
0
remove GET from image2smiles, image2ctab methods
#34
madgpap
opened
7 years ago
0
change mentions of ipython notebooks to Jupyter notebooks on the landing page
#33
madgpap
closed
7 years ago
0
One day myChEMBL could be DL-ready
#32
madgpap
opened
8 years ago
4
Add plotly to python libs
#31
madgpap
closed
7 years ago
1
IPython profiles are deprecated
#30
madgpap
closed
7 years ago
1
Add a user registration widget
#29
madgpap
opened
8 years ago
0
Add Kibi on the VM
#28
madgpap
opened
8 years ago
1
Use conda
#27
mnowotka
closed
7 years ago
4
Include chemfp
#26
mnowotka
opened
8 years ago
0
create a neo4j ipython notebook
#25
mnowotka
opened
8 years ago
0
Improve exact match in RDKit / notebooks
#24
madgpap
opened
8 years ago
0
mySureChEMBL
#23
madgpap
opened
9 years ago
0
New notebook - Markush from patents
#22
madgpap
opened
9 years ago
0
Include emscripten version of rdkit
#21
mnowotka
opened
9 years ago
0
Provide example on how to copy files bewteeen host and VM
#20
mark-davies
opened
9 years ago
0
dead link
#19
madgpap
closed
8 years ago
1
Replace fingerprint for WS sim. searches
#18
madgpap
closed
8 years ago
1
replace phpPgAdmin
#17
mnowotka
opened
9 years ago
1
Invite Rodrigo, Greg and Sereina to submit notebooks for mychembl
#16
madgpap
opened
9 years ago
3
Advertise a Notebook competition for mychembl
#15
madgpap
opened
9 years ago
0
Create notebook with openbabel examples
#14
madgpap
opened
9 years ago
0
03_myChEMBL_predict_targets DeprecationWarning
#13
mark-davies
opened
9 years ago
1
mathjax issue
#12
mark-davies
closed
9 years ago
0
Create a notebook to introduce all notebooks
#11
madgpap
opened
9 years ago
0
Create mychembl_test.sh
#10
mark-davies
opened
9 years ago
0
Make Notebook 01 more like Chemistry Toolkit Rosetta
#9
mnowotka
opened
9 years ago
4
New notebook - compound structure recognition
#8
mnowotka
opened
9 years ago
0
Create ADME SARfari ipython notebook
#7
mark-davies
opened
9 years ago
0
New notebook - using mongoDB for chemistry.
#6
mnowotka
opened
9 years ago
1
Install ADME SARfari application in myChEMBL
#5
mark-davies
opened
9 years ago
0
Keep notebooks in separate github repo
#4
mnowotka
opened
9 years ago
0
Configure ipython to work inside virtualenv.
#3
mnowotka
opened
9 years ago
3
Create a default virtualenv
#2
mnowotka
closed
7 years ago
1
Changing 18 to 19
#1
mark-davies
closed
9 years ago
0