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16 Open 5 Closed
16 Open 5 Closed
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Issues list

Replace pickles with msgpak
#122 opened Apr 29, 2021 by samblau
N shortest paths should implicitly remove duplicates
#117 opened Apr 26, 2021 by samblau
Concerted reaction tests should also test against reaction free energy
#89 opened Mar 16, 2021 by samblau
@hpatel1567
Considering conformers, cis/trans isomers, and stereoisomers when deducing reactions
#42 opened Dec 11, 2020 by samblau
@espottesmith @hpatel1567
Considering ion charge when deducing reactions
#41 opened Dec 11, 2020 by samblau
@espottesmith @hpatel1567
Make concerted reactions only allowed for a consistent reaction center
#40 opened Dec 11, 2020 by samblau
@hpatel1567
Split reaction nodes could be re-unified to nearly halve the number of nodes/edges
#37 opened Dec 4, 2020 by samblau
@hpatel1567 @KhanWhale
2
Add tool to visualize reaction networks enhancement New feature or request help wanted Extra attention is needed
#33 opened Dec 1, 2020 by espottesmith
@danielbarter
Accelerate PR solving for exponential cost functions
#32 opened Dec 1, 2020 by samblau
@samblau @danielbarter @hpatel1567
Computable properties of huge reaction networks
#30 opened Nov 27, 2020 by danielbarter
Functions to change temperature and electron free energy for a reaction network enhancement New feature or request good first issue Good for newcomers help wanted Extra attention is needed
#26 opened Nov 20, 2020 by espottesmith
Remove duplicate paths enhancement New feature or request good first issue Good for newcomers help wanted Extra attention is needed
#23 opened Nov 19, 2020 by espottesmith
@danielbarter @hpatel1567
2
Checkpointing for PR solving enhancement New feature or request help wanted Extra attention is needed
#22 opened Nov 17, 2020 by espottesmith
@hpatel1567
Better core interfaces
#19 opened Nov 14, 2020 by shyamd
@samblau @shyamd
Improved cost functions
#17 opened Nov 14, 2020 by shyamd
@espottesmith
Convert tests to use pytest enhancement New feature or request help wanted Extra attention is needed
#6 opened Nov 9, 2020 by espottesmith
@espottesmith
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