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Issues list

refactor(mf-factor): getInfo is complicate with parametrized dynamic properties
#259 opened Dec 19, 2024 by tpoisseau
@lpatiny
build: migrate packages to esm-only
#256 opened Dec 18, 2024 by tpoisseau
23 tasks
3
Improve types of mf.getElements
#251 opened Dec 17, 2024 by stropitek
Improve types of mf.toParts
#250 opened Dec 17, 2024 by stropitek
Isotopic distribution and resolution
#235 opened Dec 5, 2024 by lpatiny
@lpatiny
MF.getInfo should always return the same type
#234 opened Dec 5, 2024 by lpatiny
@lpatiny
mf-parser: MF.prototype.getInfo can be incoherent on successive calls due to caching bug
#232 opened Dec 4, 2024 by tpoisseau
Add --coverage back
#197 opened Jun 26, 2024 by targos
Update svgdom blocked
#193 opened Jun 25, 2024 by targos
Update ml-fcnnls
#192 opened Jun 25, 2024 by targos
Upgrade @orama/orama
#191 opened Jun 25, 2024 by targos
Investigate lerna-Nx to improve running tasks
#190 opened Jun 25, 2024 by targos
@targos
Add aromaticity index
#107 opened Feb 22, 2023 by lpatiny
@lpatiny
1
Find fragmentation contribution for each bond hose
#50 opened Nov 9, 2021 by lpatiny
1
Create HOSE code like for bond fragmentation (1 bond and 2 bonds)
#49 opened Nov 9, 2021 by lpatiny
@lpatiny @RicardoSilvestr
Define rules to apply for in silico fragmentation
#47 opened Nov 9, 2021 by lpatiny
1
Create algorithm for in-silico fragmentation
#46 opened Nov 9, 2021 by lpatiny
@lpatiny @RicardoSilvestr
Find database of experimental data + structure + molfile
#45 opened Nov 9, 2021 by lpatiny
@RicardoSilvestr
1
Report EICs characteristics
#29 opened Apr 29, 2021 by jdesport
Import list of masses to create EICs
#26 opened Apr 9, 2021 by jdesport
2
NO3-- not working
#5 opened Feb 17, 2020 by lpatiny
@lpatiny
Hill MF convention
#3 opened May 28, 2019 by lpatiny
Load ChemBL and SureChemBL
#2 opened Sep 14, 2018 by lpatiny
ProTip! What’s not been updated in a month: updated:<2024-11-30.