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mwinokan
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HIPPO
Hit Interaction Profiling for Procurement Optimisation
https://hippo.winokan.com
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Plot tsnee for proposals relative to chemical space of entire database
#186
mwinokan
opened
2 hours ago
0
Django: add validation to model fields
#185
mwinokan
opened
2 days ago
0
Django: support multiple Databases/Animal objects
#184
mwinokan
opened
3 days ago
0
Deal with same reactant with different Solvents
#183
mwinokan
opened
4 days ago
0
Django: Models for Routes/Recipes/Rgen/Scorer
#182
mwinokan
opened
4 days ago
0
Create legacy migration script
#181
mwinokan
opened
4 days ago
0
Pruning back Ester_amidations (2A)
#180
mwinokan
closed
4 days ago
1
Refactor backend to use Django's ORM
#179
mwinokan
opened
1 week ago
1
Clean up attributes and proposal web section
#178
mwinokan
opened
1 week ago
0
Support locked database in db.execute, wait for unlock?
#177
mwinokan
closed
2 weeks ago
1
Deal with syndirella 'one of many products' flag
#176
mwinokan
opened
2 weeks ago
0
Refactor load_syndirella_bases to use scaffold_check directories
#175
mwinokan
closed
2 weeks ago
0
Remove unneeded header keys from regular molecules in PoseSet.to_fragalysis SDF output
#174
mwinokan
closed
1 week ago
1
Change Scorer.summary to use a rich.table.Table instead
#173
mwinokan
opened
4 weeks ago
0
Fix mrich progress bar for Attribute.value_dict
#172
mwinokan
opened
4 weeks ago
0
Clean up scaffolds section in ProposalPage to clearly separate scaffolds from each other
#171
mwinokan
closed
3 weeks ago
0
Use Hirsch index for diversity and balance measures
#170
mwinokan
opened
1 month ago
0
Molecular weight histogram/violins to ProposalPage
#169
mwinokan
opened
1 month ago
0
Think about estimating cost of reagents
#168
mwinokan
opened
1 month ago
0
Explore H-index style scores instead of balance / diversity
#167
mwinokan
closed
3 weeks ago
1
Scorer performance optimised CustomAttributes
#166
mwinokan
opened
1 month ago
0
Automatic gantt chart
#165
mwinokan
opened
1 month ago
0
Scorer serialisation
#164
mwinokan
closed
1 month ago
0
Hit interaction coverage into scoring.DEFAULT_ATTRIBUTES
#163
mwinokan
opened
1 month ago
0
Sucos score into scoring.DEFAULT_ATTRIBUTES
#162
mwinokan
opened
1 month ago
0
Batch CLI
#161
mwinokan
closed
1 month ago
1
Fix reaction yield calculation
#160
mwinokan
closed
1 month ago
0
HTML output 3d pose viewers (3Dmol.js)
#159
mwinokan
opened
1 month ago
0
cache compound->pose map in db
#158
mwinokan
closed
1 month ago
1
Update recipe dictionaries with calculated Scorer values
#157
mwinokan
closed
1 month ago
1
Create temporary pose table from route_set to solve recipe poses faster
#156
mwinokan
closed
1 month ago
1
RouteSet option to iterate evenly across base compounds
#155
mwinokan
closed
3 weeks ago
1
Handle multiple point mutations w.r.t. protein/target features
#154
mwinokan
opened
1 month ago
0
animal.backup method
#153
mwinokan
closed
1 month ago
1
CompoundSet tsnee plot
#152
mwinokan
closed
1 month ago
1
Dynamic recipe summary output
#151
mwinokan
opened
1 month ago
0
parallel recipe generation
#150
mwinokan
opened
1 month ago
0
Routes with variable amounts #147
#149
mwinokan
closed
1 month ago
0
Bulk reaction yield setting #146
#148
mwinokan
closed
1 month ago
0
Update route table schema and API to allow for different reaction yields
#147
mwinokan
closed
1 month ago
0
ReactionTable.types and set_yield(type=)
#146
mwinokan
closed
1 month ago
0
Start using big enamine SDF's for quoting
#145
mwinokan
closed
1 month ago
0
Support salt form quotes
#144
mwinokan
closed
1 month ago
1
Support searching large Enamine SDF's
#143
mwinokan
closed
1 month ago
1
Parameter substitution in SQL queries
#142
mwinokan
closed
1 month ago
1
CLI for common batch tasks
#141
mwinokan
opened
1 month ago
0
Check for and remove duplicate routes
#140
mwinokan
opened
1 month ago
0
Rich output
#139
mwinokan
closed
1 month ago
1
Config file for fragalysis export
#138
mwinokan
opened
1 month ago
0
Restore Pose.base_id and Pose.num_atoms_wrt_base
#137
mwinokan
closed
1 month ago
1
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