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datamol-io
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medchem
Molecular filtering for drug discovery.
https://medchem-docs.datamol.io
Apache License 2.0
50
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3
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Lilly filters
#26
SteshinSS
closed
1 week ago
2
fix security issues
#25
maclandrol
closed
3 months ago
0
fix: Remove compromised link to polyfill.io
#24
jstlaurent
closed
3 months ago
1
`ValueError` probably caused from some missing parallel results
#23
muammar
opened
3 months ago
8
Add Spacial Score
#22
maclandrol
opened
4 months ago
0
References for Structural Alerts
#21
onexhale
closed
6 months ago
3
Fix issues with loading data on python 3.9
#20
maclandrol
closed
8 months ago
0
Error loading RuleFilters.list_available_rules
#19
ec1340
closed
8 months ago
6
add rdkit as a pypi dep
#18
hadim
closed
10 months ago
0
Sort approved drugs by year date in tutorial on drug passing or not common medchem filters
#17
hadim
closed
1 year ago
4
Finalize documentation (again!)
#16
hadim
closed
1 year ago
0
`E ValueError: Unable to parse string "acetal_1_in_ring:D60"` error
#15
hadim
closed
1 year ago
2
Add support for "Spatial Score"
#14
hadim
opened
1 year ago
0
Chemical groups
#13
maclandrol
closed
1 year ago
2
Documentation for functional API and basic concepts
#12
hadim
closed
1 year ago
6
Rename tutorial to guide?
#11
hadim
closed
1 year ago
0
Tutorial for functional API
#10
hadim
closed
1 year ago
0
Micro updates
#9
maclandrol
closed
1 year ago
0
Beyond "don't blindly apply filters"
#8
hadim
closed
1 year ago
0
my changes
#7
hadim
closed
1 year ago
0
Add Devcontainer configuration
#6
hadim
closed
1 year ago
0
Better tutorials
#5
hadim
closed
1 year ago
0
Corrupted common_alert_collection.csv file
#4
hadim
closed
1 year ago
1
API Refactoring
#3
hadim
closed
1 year ago
4
Documentation and tutorials
#2
hadim
closed
1 year ago
1
API refactoring
#1
hadim
closed
1 year ago
10