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Investigate using an ORM
Database
Changes to database schema
Testing / Research
Testing, verification, or research
#179
opened Nov 14, 2024 by
mwinokan
Clean up attributes and proposal web section
HTML Output
Improvements to ProposalPage HTML output
#178
opened Nov 14, 2024 by
mwinokan
2 tasks
Deal with syndirella 'one of many products' flag
API
Python API feature / request
Database
Changes to database schema
New feature (archived)
New feature or request
#176
opened Nov 5, 2024 by
mwinokan
Fix mrich progress bar for Attribute.value_dict
Rgen/Scoring
Route selection
#172
opened Oct 25, 2024 by
mwinokan
Use Hirsch index for diversity and balance measures
API
Python API feature / request
Critical
High-priority
Rgen/Scoring
Route selection
#170
opened Oct 22, 2024 by
mwinokan
Molecular weight histogram/violins to ProposalPage
API
Python API feature / request
#169
opened Oct 21, 2024 by
mwinokan
Think about estimating cost of reagents
API
Python API feature / request
Database
Changes to database schema
Testing / Research
Testing, verification, or research
#168
opened Oct 21, 2024 by
mwinokan
Scorer performance optimised CustomAttributes
API
Python API feature / request
Critical
High-priority
Performance
Performance optimisation and code smell
Rgen/Scoring
Route selection
Automatic gantt chart
API
Python API feature / request
Database
Changes to database schema
HTML Output
Improvements to ProposalPage HTML output
#165
opened Oct 15, 2024 by
mwinokan
3 tasks
Hit interaction coverage into scoring.DEFAULT_ATTRIBUTES
API
Python API feature / request
Rgen/Scoring
Route selection
#163
opened Oct 14, 2024 by
mwinokan
Sucos score into scoring.DEFAULT_ATTRIBUTES
API
Python API feature / request
Rgen/Scoring
Route selection
#162
opened Oct 14, 2024 by
mwinokan
HTML output 3d pose viewers (3Dmol.js)
HTML Output
Improvements to ProposalPage HTML output
New feature (archived)
New feature or request
#159
opened Oct 7, 2024 by
mwinokan
Handle multiple point mutations w.r.t. protein/target features
API
Python API feature / request
#154
opened Oct 2, 2024 by
mwinokan
CLI for common batch tasks
API
Python API feature / request
#141
opened Sep 27, 2024 by
mwinokan
15 tasks
Check for and remove duplicate routes
API
Python API feature / request
#140
opened Sep 27, 2024 by
mwinokan
Config file for fragalysis export
API
Python API feature / request
#138
opened Sep 24, 2024 by
mwinokan
More detail in Sankey (quoted amounts, prices, lead-times)
API
Python API feature / request
#135
opened Sep 23, 2024 by
mwinokan
Read reference column from Syndirella to_hippo pickles
API
Python API feature / request
#133
opened Sep 19, 2024 by
mwinokan
Differentiate between different atomic species forming the same interactions
API
Python API feature / request
#126
opened Sep 2, 2024 by
mwinokan
Batch suggestion for CAR Recipe export
API
Python API feature / request
Testing / Research
Testing, verification, or research
#110
opened Jun 12, 2024 by
mwinokan
2 tasks
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