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Updated Notebooks and simulations #13

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5415c5f
bad_data_timesteps addition, polishing, direct CSV import/parsing
Jul 17, 2022
dda3099
graphing update
Jul 18, 2022
339639d
copied TSV files
Jul 18, 2022
c8486b0
Merge remote-tracking branch 'upstream/main' into main
Jul 18, 2022
e137972
figure finalization
Jul 18, 2022
e459f38
km logic and Notebook exploration
Jul 19, 2022
0fc78b7
ReFramed code and docstrings
freiburgermsu Jul 20, 2022
bff685a
Add files via upload
freiburgermsu Jul 20, 2022
39bfffc
zip extraction and updated Notebooks
Jul 22, 2022
19a61e1
Merge branch 'main' of https://github.com/freiburgermsu/ProjectNotebo…
Jul 22, 2022
7d74857
SMETANA draft
Jul 25, 2022
464b389
attempted recapitulation of the SMETANA example
Jul 25, 2022
0574a23
clean SMETANA directory
Jul 25, 2022
f5cee78
partial COBRA translation of ReFramed SMETANA
Jul 26, 2022
587b7b5
debugging of SMETANA curation
Jul 28, 2022
43864de
standardization of experimental data and MSsmetana
Aug 2, 2022
e10d294
MSsmetana draft and associated files/Notebooks
Aug 5, 2022
8a22dfc
plotting individual phenotypes and improved concentration plots
Aug 8, 2022
1894bef
towards automating the phenotype fluxes
Aug 9, 2022
597ea86
automated phenotype fluxes, not calibrated for M9
Aug 9, 2022
fc4ed6e
acetate production patch and dictionary v API Optlang comparison
Aug 10, 2022
58dd887
Add files via upload
freiburgermsu Aug 10, 2022
c09ac18
old edits before a merged update
Aug 11, 2022
3e5461d
merge conflicts
Aug 11, 2022
573afd4
merge conflicts
Aug 12, 2022
fef67b8
Updated GEM fluxes in MSComFitting and MSsmetana revisions
Aug 12, 2022
dab32ed
Merge branch 'main' of https://github.com/freiburgermsu/ProjectNotebo…
Aug 12, 2022
a52e0fe
SMETANA logical edits and use of leveraged functions
Aug 14, 2022
fb358c6
SMETANA, OptlangHelper, and MinimalMedia edits
Aug 16, 2022
502deab
SMETANA edits
Aug 17, 2022
157711a
SMETANA object creation as an abstraction of staticmethods
Aug 17, 2022
41e208b
MSCommFitting dictionary replacement and error images
Aug 18, 2022
0476a51
removed folder
freiburgermsu Aug 23, 2022
4d9f159
merge conflict resolutions
freiburgermsu Aug 23, 2022
195711f
commfitting dictionary development
Aug 25, 2022
32800d4
simulation images
Aug 25, 2022
5b6cef8
Delete CommunityModeling/CommFitting/C:/Users/Andrew Freiburger/Docum…
freiburgermsu Aug 25, 2022
5f6b96a
Delete CommunityModeling/CommFitting/Fatimas_drafts/C:/Users/Andrew F…
freiburgermsu Aug 25, 2022
1e8fec3
Merge branch 'main' of https://github.com/freiburgermsu/ProjectNotebo…
Aug 25, 2022
ce5c436
MSsmetana edits
Aug 26, 2022
95a47b7
MSCommFitting recursive assignment of a dictionary expression
Aug 26, 2022
e9206fb
OptlangHelper expansion with a recursive expression definition
Aug 27, 2022
dc16131
drafts of all but SCscore
Aug 28, 2022
590d295
SMETANA updates and CommFitting dictionary infrastructure
Aug 29, 2022
24bdb6d
SMETANA updates and Notebook development
Aug 30, 2022
160bd1b
dictionary MSCommFitting method and MSSmetana edits
Aug 31, 2022
62ba113
MIP and MU score improvements
Sep 2, 2022
4b1cec2
MSCommFitting loading data &parameter changes
Sep 2, 2022
a710bcd
Operational and polished MSsmetana
Sep 3, 2022
b9c894a
cleaning the directory ; SMETANA and CommFitting edits
Sep 6, 2022
61ae2c2
smetana score operational draft
Sep 9, 2022
3cd9b94
smetana notebook updates
Sep 12, 2022
bac1da1
mscommfitting_dict edits
freiburgermsu Sep 13, 2022
7cd2c66
mscommfitting_dict merge conflict resolutions
freiburgermsu Sep 13, 2022
0496796
reorganized CommFitting and minimal media development
freiburgermsu Sep 13, 2022
e187886
save open notebooks
Sep 16, 2022
7bdf59b
MSCommFitting polishing ; bad timesteps
Sep 20, 2022
0c140b6
reorganize CommunityModeling directory
freiburgermsu Sep 21, 2022
7ea019b
conflict resolution
freiburgermsu Sep 21, 2022
d1d30a5
MSCommFitting and SMETANA edits
Sep 22, 2022
ba07e24
conflict resolution
Sep 22, 2022
1b3d683
Michaelis-Menten logic development
Sep 25, 2022
99e467e
Michaelis-Menten logic development & _standard()
Sep 26, 2022
8ae96f4
DataStandardization package
Sep 27, 2022
a1756ab
DataStandardization completion and beginning of commfitting revisions
Sep 29, 2022
7aa085e
developing a standardized CommFitting
Sep 30, 2022
c65882c
towards a generalized CommFitting, with associated files
Oct 5, 2022
2a5f9ba
near generalized CommFitting and associated files
Oct 6, 2022
17fbd42
generalized core edits ; ignore_timesteps development ; new data
Oct 10, 2022
94d8070
generalized core correction of carbon constraints ; ignore_timesteps …
Oct 12, 2022
860dca3
generalized CommFitting
freiburgermsu Oct 14, 2022
eb57c1e
generalized core, sans growing PF
Oct 14, 2022
9ce0dd9
generalized core and updated graph arguments
Oct 15, 2022
a4c7c9f
reorganize the repository ; E.coli Acetate phenotype simulation
Oct 15, 2022
5c2655f
supplant the original CommFitting with the standardized CommFitting
Oct 15, 2022
eb9a09a
BIOLOG standardization drafts
Oct 19, 2022
c05d7e8
BIOLOG standardization drafts
Oct 19, 2022
5e60e53
BIOLOG standardization drafts
Oct 19, 2022
2492503
development toward simulating BIOLOG data
Oct 20, 2022
5692f47
AIChE poster simulations, and associated edits
Oct 22, 2022
39e3905
AIChE Figures; reorganized data; OD plateau check
Oct 25, 2022
bc7df5f
OD plateau removal simulations
Oct 25, 2022
fb865c7
Acetate simulation development and edits
freiburgermsu Oct 25, 2022
0d9877d
Distinguished phenotype growth rates ; Acetate media simulation
Oct 29, 2022
d4be5cc
first phase of kinetic optimization draft
Oct 31, 2022
88868c4
polishing
Nov 1, 2022
7c5a83a
updated phenotype definition and simulation figures
Nov 2, 2022
3c841fd
reorganization ; simulation Notebooks and figures ; CommPhitting phen…
Nov 7, 2022
7ae7dd3
phenotype debugging
freiburgermsu Nov 8, 2022
cf0145b
phenotypes code draft
Nov 8, 2022
cda0255
pre-dual-optimization phenotypes code
Nov 9, 2022
8de68aa
dual-optimization phenotyping draft
Nov 9, 2022
72f1554
operational dual-optimization phenotyping
Nov 9, 2022
9710381
debugging dual-optimization phenotyping
Nov 9, 2022
f5d1241
drafted operational phenotyping and final AIChE simulations
Nov 10, 2022
c86efce
generalized phenotype excretion optimization
freiburgermsu Nov 11, 2022
d1b7b29
recrganized the CommPhitting directory
Nov 13, 2022
4984f32
added Ross Carlson's E.coli and P.aeruginosa data
Nov 18, 2022
9373bcd
remove nested repository
Nov 18, 2022
e8c21a2
add submodule of Ross's E.coli study data
Nov 18, 2022
d4d622d
developing the fitKinetics method
Nov 22, 2022
0e6cf09
BIOLOG simulations and logic simplifications
Nov 23, 2022
a5f37bf
preliminary paper figures of mono- and co-cultures
Nov 24, 2022
293b8cc
minor CommPhitting edits
freiburgermsu Nov 24, 2022
3b2dee9
Merge branch 'main' of https://github.com/freiburgermsu/ProjectNotebooks
freiburgermsu Nov 24, 2022
47ae222
kinetics optimization edits and Notebook
freiburgermsu Nov 29, 2022
20f1ef5
figure export adjustment
Nov 29, 2022
8fecd71
new additions
Nov 29, 2022
6435496
Delete CommunityModeling/CommFitting/C:/Users/Andrew Freiburger/Docum…
freiburgermsu Nov 29, 2022
f4fa34e
Merge branch 'main' of https://github.com/freiburgermsu/ProjectNotebo…
Nov 29, 2022
76c79ec
microarray transcriptomics data simplification
Dec 1, 2022
06295a1
BIOLOG simulations
freiburgermsu Dec 1, 2022
7f823f6
Merge branch 'main' of https://github.com/freiburgermsu/ProjectNotebooks
freiburgermsu Dec 1, 2022
8300b2d
draft towards paper figures
Dec 1, 2022
105d642
conflict resolution
Dec 1, 2022
de50f7c
updated kinetics loop to share
Dec 1, 2022
5256ad9
operational kinetics optimization ; problem definition corrections ; …
Dec 3, 2022
afb9b01
debugged simulations and refined fitting graph
Dec 4, 2022
2ccf9cd
Paper figure debugging and kinetics refinement
Dec 5, 2022
9819bc7
paper_figure simulations
Dec 6, 2022
9e3936a
fit_kinetics2 draft with experimental data
Dec 7, 2022
7a0b668
BIOLOG test
Dec 8, 2022
c971f70
Notebook simulations
freiburgermsu Dec 8, 2022
b30c51f
merge resolution
freiburgermsu Dec 8, 2022
f0edf36
BIOLOG simulation development
freiburgermsu Dec 8, 2022
a8eeea0
Delete CommunityModeling/CommFitting/C:/Users/Andrew Freiburger/Docum…
freiburgermsu Dec 9, 2022
1e1369c
unknown AIChE simulation edits
Dec 9, 2022
87465ac
Merge branch 'main' of https://github.com/freiburgermsu/ProjectNotebo…
Dec 9, 2022
6326779
Chris' kinetics formulation, initial draft
Dec 10, 2022
aafec69
further CommPhitting refinements, with a few remaining bugs
Dec 11, 2022
446f8b9
further CommPhitting refinements, possibly correct final bioc
Dec 12, 2022
47ec445
constrained CommPhitting bioc for all members
Dec 13, 2022
833b328
cFBA notebook draft for SynBio ; expanded c_ variable definitions
freiburgermsu Dec 16, 2022
560b39d
simulations for the preprint
Dec 17, 2022
0cd903a
merge conflict resolution
Dec 17, 2022
b2c2df6
complete paper_figures simulations
Dec 23, 2022
1c62109
BIOLOG simulation drafting
Dec 24, 2022
bf7d506
updated directory naming
freiburgermsu Dec 29, 2022
16670e8
BIOLOG developing and simulations ; ANME reorganization
freiburgermsu Jan 1, 2023
823d546
ANME SteadyCom Notebook simulations
freiburgermsu Jan 3, 2023
60c3ee1
CommPhitting graphing updates and parsed functinoality
freiburgermsu Jan 6, 2023
3a7bd13
updated pipeline and paper_figures Notebook
freiburgermsu Jan 26, 2023
2b79ec6
CommPhitting code updates
freiburgermsu Jan 27, 2023
cd67d81
adding the cleaned Notebook
freiburgermsu Jan 27, 2023
d2d65e3
paper_figures, ANME SMETANA, and Data parameterization for CommPhitting
freiburgermsu Jan 30, 2023
f7c59fa
ANME SMETANA Notebook
freiburgermsu Feb 23, 2023
58bfc8f
conflicts
freiburgermsu Feb 23, 2023
18599c2
CommPhitting updates
freiburgermsu Mar 17, 2023
c044fd1
Merge branch 'main' of https://github.com/freiburgermsu/ProjectNotebooks
freiburgermsu Mar 17, 2023
1ef2eb7
CommPhitting examples
freiburgermsu Mar 21, 2023
b2311c7
CommPhitting Poster simulations
freiburgermsu Mar 23, 2023
530bddb
overnight CommPhitting Poster simulation
freiburgermsu Mar 23, 2023
11497ca
CommPhitting HDF5 output ; new metabolomics data
freiburgermsu Apr 1, 2023
5f97f88
ANME and CommPhitting updates
freiburgermsu May 2, 2023
2287d0d
Merge branch 'main' of https://github.com/freiburgermsu/ProjectNotebooks
freiburgermsu May 2, 2023
8bef631
CommPhitting updates
freiburgermsu May 3, 2023
64aafec
Merge branch 'main' of https://github.com/freiburgermsu/ProjectNotebooks
freiburgermsu May 3, 2023
a7c027a
ANME GeneID information parsing
freiburgermsu May 3, 2023
dad47f9
t pushMerge branch 'main' of https://github.com/freiburgermsu/Project…
freiburgermsu May 3, 2023
5b6d863
Victoria's annotation parsing and gene->genome mapping
freiburgermsu May 14, 2023
4c64282
ANME edits
freiburgermsu May 15, 2023
a26b503
GROW files and ANME updates
freiburgermsu May 19, 2023
f39d1da
ANME/SRB Gene ID corrections
freiburgermsu May 20, 2023
3c1527f
ANME geneID -> GenomeID -> KBase obj mappings
freiburgermsu May 23, 2023
dbda137
updated ANME genome mappings
freiburgermsu May 25, 2023
206d77f
TMS significant compounds
freiburgermsu May 31, 2023
7fcc9e1
KBase mapped genomes and Jeff's writing drafts
freiburgermsu May 31, 2023
cae2f22
CommScores
freiburgermsu Jun 3, 2023
bf8726f
ANME genomeID mapping updates
freiburgermsu Jun 3, 2023
24cd18a
merge edits
freiburgermsu Jun 4, 2023
429f9a9
Dileep's compound mapping
freiburgermsu Jun 4, 2023
9a8ce07
Update .gitignore
freiburgermsu Jun 4, 2023
adb2e3a
Update .gitignore
freiburgermsu Jun 4, 2023
b7862d6
ANME and Mouse Microbiome files
freiburgermsu Jun 15, 2023
7cb4270
Merge branch 'main' of https://github.com/freiburgermsu/ProjectNotebooks
freiburgermsu Jun 15, 2023
2ad7e79
AGORA2 model processing
freiburgermsu Jun 30, 2023
5326f07
AGORA2 and SBI collab
freiburgermsu Jul 4, 2023
2bfe215
SBI_collab data and CommScores interaction example
freiburgermsu Jul 6, 2023
8196b14
SBML3 models
freiburgermsu Jul 7, 2023
f11fad0
update SBML3 path
freiburgermsu Jul 7, 2023
5642e81
CommScores parsing code and BSS bug
freiburgermsu Jul 13, 2023
af47105
pull updates
freiburgermsu Jul 13, 2023
c5b0cd6
ANME syntrophy simulations, CommScores paper data, and Concerto
freiburgermsu Jul 19, 2023
fed19fb
Merge branch 'main' of https://github.com/freiburgermsu/ProjectNotebooks
freiburgermsu Jul 19, 2023
84bb1f8
concerto simulations
freiburgermsu Jul 19, 2023
0afa990
ANME clade pairings
freiburgermsu Jul 21, 2023
8519019
ANME and DORF maping
freiburgermsu Aug 2, 2023
e3ea881
AGORA2 models mapping from ASV
freiburgermsu Aug 5, 2023
cd940ab
AGORA2 ASV megaModel mapping
freiburgermsu Aug 6, 2023
a0be1d9
phenotyping updates
freiburgermsu Aug 8, 2023
dbac32c
Notebook updates for examining AGORA2
freiburgermsu Aug 8, 2023
88b8e03
Merge branch 'main' of https://github.com/freiburgermsu/ProjectNotebooks
freiburgermsu Aug 8, 2023
f61142b
AGORA built models
freiburgermsu Aug 13, 2023
0469cf4
SBML update and AGORA_comm Notebook
freiburgermsu Aug 13, 2023
9625260
merge conflict resolution
freiburgermsu Aug 13, 2023
3707f55
AGORA2_comm Notebook update
freiburgermsu Aug 31, 2023
b1de28d
AuroraGPT and illustrations
freiburgermsu Oct 18, 2023
586d9d9
Merge branch 'main' of https://github.com/freiburgermsu/ProjectNotebooks
freiburgermsu Oct 18, 2023
a491fe4
AuroraGPT files
freiburgermsu Oct 19, 2023
80d3bd0
Updated compounds paragraphs
freiburgermsu Oct 26, 2023
34839de
AuroraGPT updates and MSCompatibility scrubbing
freiburgermsu Nov 1, 2023
aeca5e0
merge conflict resolution
freiburgermsu Nov 1, 2023
a2a6c67
reaction paragraphs update
freiburgermsu Nov 1, 2023
9177b21
rxns and cpds paragraphs for round 1 training
freiburgermsu Nov 3, 2023
1634cb3
mouse_microbiome updates
freiburgermsu Nov 9, 2023
78c3725
Merge branch 'main' of https://github.com/freiburgermsu/ProjectNotebooks
freiburgermsu Nov 9, 2023
17058c9
minor microbiome Notebook edits
freiburgermsu Nov 9, 2023
70d54d4
Merge branch 'main' of https://github.com/freiburgermsu/ProjectNotebooks
freiburgermsu Nov 9, 2023
eb0cbb5
Mapping metabolomics data
freiburgermsu Nov 12, 2023
7af99ac
Merge branch 'main' of https://github.com/freiburgermsu/ProjectNotebooks
freiburgermsu Nov 12, 2023
6a5b7d7
Megan's models updates
freiburgermsu Nov 20, 2023
490b088
Megan's mapping updates
freiburgermsu Nov 20, 2023
cdf80bb
AuroraGPT updates
freiburgermsu Nov 25, 2023
389b8fc
Notebook updates
freiburgermsu Nov 27, 2023
a0cbabd
AuroraGPT level-1 tests
freiburgermsu Nov 28, 2023
8177e54
Merge branch 'main' of https://github.com/freiburgermsu/ProjectNotebooks
freiburgermsu Nov 28, 2023
ad6f054
AuroraGPT question updates and AGORA2 files
freiburgermsu Nov 28, 2023
c89aedf
Merge pull request #5 from ModelSEED/main
freiburgermsu Dec 15, 2023
6c12b2c
parsed out content to dedicated repositories
freiburgermsu Dec 20, 2023
3f0d9b6
remove AuroraGPT content
freiburgermsu Dec 22, 2023
42ba42d
AuroraGPT data and Notebooks
freiburgermsu Dec 23, 2023
31a5933
relocating living projects
freiburgermsu Dec 23, 2023
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19 changes: 19 additions & 0 deletions .gitignore
Original file line number Diff line number Diff line change
Expand Up @@ -101,6 +101,10 @@ celerybeat.pid
# SageMath parsed files
*.sage.py

# GROW genomes
grow/OWC_MAGS/*
grow/renamed_gffs/*

# Environments
.env
.venv
Expand All @@ -118,12 +122,27 @@ venv.bak/
.ropeproject

# mkdocs documentation
*DS_Store
*/*.DS_Store
/site

# MSCommfitting
*.zip
*.lp
**/mscommfitting.json
*/C:/*
CommunityModeling/CommFitting/simple_kinetics_loop/*

# mypy
.mypy_cache/
.dmypy.json
dmypy.json

# Pyre type checker
.pyre/


# raw paragraph files
reaction_paragraphs.txt
compound_paragraphs.txt
*.gz
3 changes: 3 additions & 0 deletions .gitmodules
Original file line number Diff line number Diff line change
@@ -0,0 +1,3 @@
[submodule "CommunityModeling/CommFitting/data/becketal-syntheticconsortia"]
path = CommunityModeling/CommFitting/data/becketal-syntheticconsortia
url = https://github.com/rosspcarlson/becketal-syntheticconsortia
3 changes: 3 additions & 0 deletions .idea/.gitignore

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12 changes: 12 additions & 0 deletions CommunityModeling/.idea/CommunityModeling.iml

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