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mwinokan
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HIPPO
Hit Interaction Profiling for Procurement Optimisation
https://hippo.winokan.com
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HTML output 3d pose viewers (3Dmol.js)
#159
mwinokan
opened
9 hours ago
0
cache compound->pose map in db
#158
mwinokan
opened
11 hours ago
0
Update recipe dictionaries with calculated Scorer values
#157
mwinokan
opened
4 days ago
0
Create temporary pose table from route_set to solve recipe poses faster
#156
mwinokan
opened
4 days ago
0
RouteSet option to iterate evenly across base compounds
#155
mwinokan
opened
4 days ago
0
Handle multiple point mutations w.r.t. protein/target features
#154
mwinokan
opened
5 days ago
0
animal.backup method
#153
mwinokan
opened
5 days ago
0
CompoundSet tsnee plot
#152
mwinokan
opened
5 days ago
0
Dynamic recipe summary output
#151
mwinokan
opened
5 days ago
0
parallel recipe generation
#150
mwinokan
opened
5 days ago
0
Routes with variable amounts #147
#149
mwinokan
closed
6 days ago
0
Bulk reaction yield setting #146
#148
mwinokan
closed
6 days ago
0
Update route table schema and API to allow for different reaction yields
#147
mwinokan
closed
6 days ago
0
ReactionTable.types and set_yield(type=)
#146
mwinokan
closed
6 days ago
0
Start using big enamine SDF's for quoting
#145
mwinokan
opened
6 days ago
0
Support salt form quotes
#144
mwinokan
opened
6 days ago
0
Support searching large Enamine SDF's
#143
mwinokan
opened
6 days ago
0
Parameter substitution in SQL queries
#142
mwinokan
opened
1 week ago
0
CLI for common batch tasks
#141
mwinokan
opened
1 week ago
0
Check for and remove duplicate routes
#140
mwinokan
opened
1 week ago
0
Rich output
#139
mwinokan
opened
1 week ago
0
Config file for fragalysis export
#138
mwinokan
opened
1 week ago
0
Restore Pose.base_id and Pose.num_atoms_wrt_base
#137
mwinokan
opened
2 weeks ago
0
Recipe: Keep track of #reactions per ingredient
#136
mwinokan
opened
2 weeks ago
0
More detail in Sankey (quoted amounts, prices, lead-times)
#135
mwinokan
opened
2 weeks ago
0
Fix compound interactive with new base/scaffold API
#134
mwinokan
closed
2 weeks ago
0
Read reference column from Syndirella to_hippo pickles
#133
mwinokan
opened
2 weeks ago
0
Update scoring functionality for new scaffold table
#132
mwinokan
closed
1 week ago
0
Many to many base/scaffold relationship
#131
mwinokan
closed
2 weeks ago
0
TargetTable
#130
mwinokan
opened
3 weeks ago
0
RecipeSet products caching
#129
mwinokan
closed
4 weeks ago
0
more Scorer.plot hoverdata
#128
mwinokan
opened
1 month ago
0
Migrate scoring functionality from hippo2_legacy
#127
mwinokan
closed
1 month ago
0
Differentiate between different atomic species forming the same interactions
#126
mwinokan
opened
1 month ago
0
Improve performance of InteractionSet.resolve() with large 'interaction' table
#125
mwinokan
closed
3 weeks ago
0
Reduce console output (silence disk I/O?)
#124
mwinokan
closed
2 weeks ago
0
Improve performance of Pose.num_atoms_added_wrt_inspirations
#123
mwinokan
closed
2 weeks ago
1
FeatureSet class and improve performance of Target.features
#122
mwinokan
closed
1 month ago
0
Interaction Resolution / Culling
#121
mwinokan
closed
1 month ago
1
interaction render
#120
mwinokan
closed
1 month ago
1
Change fingerprint data format
#119
mwinokan
closed
1 month ago
0
Fingerprint table instead of pickled dict?
#118
mwinokan
closed
1 month ago
1
Improve fingerprinting performance
#117
mwinokan
closed
1 month ago
0
CompoundSet combined fingerprint
#116
mwinokan
closed
1 month ago
0
RandomRecipeGenerator file I/O
#115
mwinokan
closed
1 month ago
1
Improve performance of recipe.price
#114
mwinokan
closed
1 month ago
0
Price object
#113
mwinokan
closed
3 months ago
0
New DB tables for single-compound recipes
#112
mwinokan
closed
3 months ago
0
Export CSV for Postera upload
#111
mwinokan
closed
3 months ago
0
Batch suggestion for CAR Recipe export
#110
mwinokan
opened
3 months ago
0
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