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Prep for publish #1

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jspaezp merged 31 commits into from
Nov 18, 2024
Merged

Prep for publish #1

jspaezp merged 31 commits into from
Nov 18, 2024

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@jspaezp jspaezp commented Oct 1, 2024 •
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TODOS:

  • CICD
  • Docs?
    • Slim -> CLI
    • Complete -> API
    • Super complete -> Long form description of api usage.
  • Aggressive implementation of std traits.
  • Clean up benchmarking
  • Improve testing (feels flaky to work with RN ...)

jspaezp added 30 commits October 1, 2024 16:00
@jspaezp
initial branch commit
7b6c7a7
@jspaezp
feat: added precursor index to transposed
9c9f6ca
@jspaezp
chore: clippy and format
3263f91
@jspaezp
feat(wip)!: addition of simpler index n ...a lot
3564fcc
@jspaezp
(chore,feat): Added new index and refactored benchmarks
833bea0
@jspaezp
(refactor,feat) added benchmark plotting and cleanup
1ad2454
@jspaezp
feat: first benchmark results and refactor trait
f549bfa
@jspaezp
refactor: changed logging to tracing and testing
75601e9
@jspaezp
feat(centroiding): 15pct speedup in centroiding
2fdbfad
@jspaezp
... a lot ....
13aeff1
@jspaezp
chore(benchmarks): updated benchmarks
faf4682
@jspaezp
refactor!: agg/query traits and cli
37e39a5
@jspaezp
refactor(errors)!: refactored errors
c4cde15
@jspaezp
chore: version bump
7dbf592
@jspaezp
(feat,wip) initial move to ms1 + trait cleanup
0fd0173
@jspaezp
feat(wip,trait)!: aggregator context propagation
68855a6
@jspaezp
feat(wip)!: ms1 quant
8dd51e6
@jspaezp
feat: initial plotting snippet
180ec83
@jspaezp
feat: updated plot
b262e29
@jspaezp
style: new fmt settings
e1a3116
@jspaezp
chore: added pre-commit
dd0cb50
@jspaezp
chore: clippy and updated benches
10f0b76
@jspaezp
feat(wip,aggregation)!: Addition of expected int
f2b67b7
@jspaezp
(feat,wip) move towards cosine sim with expected intensities
3257238
@jspaezp
(feat,wip) cosine sim (fix) bufffer flush
1bb9a23
@jspaezp
(feat) updated metrics and benches
78aae15
@jspaezp
feat: more propagation of expected intensities
aac2f8f
@jspaezp
feat(scoring)!: WIP on moving apex score calc
e98b685
@jspaezp
feat!: cross scoring
abedea2
@jspaezp
feat: propagated mass error info
51feb9f
@jspaezp jspaezp marked this pull request as ready for review November 18, 2024 15:25
@jspaezp jspaezp merged commit 7e87338 into main Nov 18, 2024
1 check passed
@jspaezp jspaezp deleted the chore/release_prep branch November 18, 2024 15:26
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@jspaezp