in-silico-cancer-cell 0.2.0__tar.gz → 0.2.3__tar.gz

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
Files changed (113) hide show
  1. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.3}/.github/workflows/main.yml +9 -2
  2. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.3}/.vscode/launch.json +9 -0
  3. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.3}/Cargo.lock +6 -4
  4. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.3}/Cargo.toml +3 -1
  5. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.3}/PKG-INFO +8 -1
  6. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.3}/README.md +4 -0
  7. in_silico_cancer_cell-0.2.3/figures/above-the-fold-screenshot.png +0 -0
  8. in_silico_cancer_cell-0.2.3/figures/results/data-vs-simulation.pdf +0 -0
  9. in_silico_cancer_cell-0.2.3/figures/results/full-simulation-current.pdf +0 -0
  10. in_silico_cancer_cell-0.2.3/figures/results/simulation-error.pdf +0 -0
  11. in_silico_cancer_cell-0.2.3/figures/results/voltage-protocol.pdf +0 -0
  12. in_silico_cancer_cell-0.2.3/figures/screenshot.png +0 -0
  13. in_silico_cancer_cell-0.2.3/literature/2024-A549-calcium-extension.pdf +18104 -29
  14. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.3}/literature/sources.bib +13 -0
  15. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.3}/package.json +4 -3
  16. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.3}/poetry.lock +12 -1
  17. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.3}/pyproject.toml +9 -1
  18. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.3}/python/in_silico_cancer_cell/plot.py +11 -8
  19. in_silico_cancer_cell-0.2.3/python/in_silico_cancer_cell/utils.py +16 -0
  20. in_silico_cancer_cell-0.2.3/report/macros.tex +11 -0
  21. in_silico_cancer_cell-0.2.3/report/report.pdf +0 -0
  22. in_silico_cancer_cell-0.2.3/report/report.tex +202 -0
  23. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.3}/src/cell.rs +6 -6
  24. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.3}/src/channels/base.rs +42 -4
  25. in_silico_cancer_cell-0.2.3/src/channels/custom.rs +0 -0
  26. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.3}/src/constants.rs +4 -2
  27. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.3}/src/main.rs +21 -9
  28. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.3}/src/optimisation.rs +5 -2
  29. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.3}/src/patchclampdata.rs +39 -5
  30. in_silico_cancer_cell-0.2.3/src/pulseprotocol.rs +134 -0
  31. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.3}/src/utils.rs +24 -0
  32. in_silico_cancer_cell-0.2.3/tasks.py +33 -0
  33. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.3}/yarn.lock +42 -32
  34. in_silico_cancer_cell-0.2.0/figures/results/data-vs-simulation.pdf +0 -0
  35. in_silico_cancer_cell-0.2.0/main.py +0 -13
  36. in_silico_cancer_cell-0.2.0/report/report.pdf +0 -0
  37. in_silico_cancer_cell-0.2.0/report/report.tex +0 -140
  38. in_silico_cancer_cell-0.2.0/src/pulseprotocol.rs +0 -71
  39. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.3}/.editorconfig +0 -0
  40. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.3}/.github/workflows/maturin.yml +0 -0
  41. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.3}/.gitignore +0 -0
  42. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.3}/.pre-commit-config.yaml +0 -0
  43. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.3}/.rustfmt.toml +0 -0
  44. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.3}/.vscode/extensions.json +0 -0
  45. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.3}/astro.config.mjs +0 -0
  46. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.3}/data/experimental/mG0_1.mat +0 -0
  47. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.3}/data/experimental/mG0_10.mat +0 -0
  48. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.3}/data/experimental/mG0_11.mat +0 -0
  49. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.3}/data/experimental/mG0_2.mat +0 -0
  50. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.3}/data/experimental/mG0_3.mat +0 -0
  51. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.3}/data/experimental/mG0_4.mat +0 -0
  52. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.3}/data/experimental/mG0_5.mat +0 -0
  53. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.3}/data/experimental/mG0_6.mat +0 -0
  54. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.3}/data/experimental/mG0_7.mat +0 -0
  55. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.3}/data/experimental/mG0_8.mat +0 -0
  56. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.3}/data/experimental/mG0_9.mat +0 -0
  57. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.3}/data/experimental/mG1_1.mat +0 -0
  58. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.3}/data/experimental/mG1_2.mat +0 -0
  59. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.3}/data/experimental/mG1_3.mat +0 -0
  60. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.3}/data/experimental/mG1_4.mat +0 -0
  61. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.3}/data/experimental/mG1_5.mat +0 -0
  62. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.3}/data/experimental/patch_clamp_data.mat +0 -0
  63. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.3}/data/experimental/time_vector_measure.mat +0 -0
  64. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.3}/data/provision/patch_clamp_data_activation.mat +0 -0
  65. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.3}/data/provision/patch_clamp_data_deactivation.mat +0 -0
  66. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.3}/data/provision/patch_clamp_data_ramp.mat +0 -0
  67. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.3}/literature/1998-potassium-channel.pdf +0 -0
  68. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.3}/literature/2021-A549-model.pdf +0 -0
  69. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.3}/matlab/A549 in-silico main.m +0 -0
  70. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.3}/matlab/CLC_2.m +0 -0
  71. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.3}/matlab/CRAC1.m +0 -0
  72. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.3}/matlab/KCa_1_1.m +0 -0
  73. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.3}/matlab/KCa_3_1.m +0 -0
  74. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.3}/matlab/Kv_1_3.m +0 -0
  75. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.3}/matlab/Kv_3_1.m +0 -0
  76. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.3}/matlab/Kv_3_4.m +0 -0
  77. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.3}/matlab/Kv_7_1.m +0 -0
  78. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.3}/matlab/P_CRAC1.m +0 -0
  79. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.3}/matlab/TASK1.m +0 -0
  80. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.3}/matlab/TRPV_3.m +0 -0
  81. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.3}/matlab/load_patch_clamp_data.m +0 -0
  82. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.3}/matlab/model_evaluation.m +0 -0
  83. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.3}/matlab/optimization.m +0 -0
  84. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.3}/matlab/simulate_pulse_protocol.m +0 -0
  85. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.3}/matlab/simulate_pulse_protocol_TRPC.m +0 -0
  86. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.3}/matlab/simulate_pulse_protocol_TRPV.m +0 -0
  87. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.3}/public/favicon.svg +0 -0
  88. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.3}/python/in_silico_cancer_cell/__init__.py +0 -0
  89. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.3}/python/in_silico_cancer_cell/_in_rusty_silico.pyi +0 -0
  90. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.3}/python/in_silico_cancer_cell/py.typed +0 -0
  91. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.3}/python/tests/test_all.py +0 -0
  92. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.3}/report/.gitignore +0 -0
  93. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.3}/report/graphics/sample-figure1.png +0 -0
  94. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.3}/report/logos/Open_Access.eps +0 -0
  95. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.3}/report/logos/Open_Access.pdf +0 -0
  96. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.3}/report/logos/by.eps +0 -0
  97. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.3}/report/logos/by.pdf +0 -0
  98. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.3}/report/logos/dg-degruyter.eps +0 -0
  99. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.3}/report/logos/dg-degruyter.pdf +0 -0
  100. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.3}/rust-toolchain.toml +0 -0
  101. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.3}/src/channels/clc2.rs +0 -0
  102. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.3}/src/channels/crac1.rs +0 -0
  103. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.3}/src/channels/kca11.rs +0 -0
  104. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.3}/src/channels/kca31.rs +0 -0
  105. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.3}/src/channels/kv13.rs +0 -0
  106. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.3}/src/channels/kv31.rs +0 -0
  107. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.3}/src/channels/kv34.rs +0 -0
  108. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.3}/src/channels/kv71.rs +0 -0
  109. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.3}/src/channels/mod.rs +0 -0
  110. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.3}/src/channels/task1.rs +0 -0
  111. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.3}/src/channels/trpc6.rs +0 -0
  112. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.3}/src/channels/trpv3.rs +0 -0
  113. {in_silico_cancer_cell-0.2.0 → in_silico_cancer_cell-0.2.3}/src/lib.rs +0 -0
@@ -26,11 +26,18 @@ jobs:
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  # builds frontend with wasm-pack
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  - uses: bahmutov/npm-install@v1
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  - run: yarn run wasm-pack build frontend --release
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- - run: cargo run --release --target=${{ matrix.target }} save-patch-clamp-data 225
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+ - run: |
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+ cargo run --release --target=${{ matrix.target }} -- --protocol activation --phase g0 save-patch-clamp-data
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+ cargo run --release --target=${{ matrix.target }} -- --protocol deactivation --phase g0 save-patch-clamp-data
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+ cargo run --release --target=${{ matrix.target }} -- --protocol ramp --phase g0 save-patch-clamp-data
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+ cargo run --release --target=${{ matrix.target }} -- --protocol activation --phase g1 save-patch-clamp-data
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+ cargo run --release --target=${{ matrix.target }} -- --protocol deactivation --phase g1 save-patch-clamp-data
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+ cargo run --release --target=${{ matrix.target }} -- --protocol ramp --phase g1 save-patch-clamp-data
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  - run: yarn run build
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-
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  # deploy
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  - uses: jsmrcaga/action-netlify-deploy@master
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+ # if: startsWith(github.ref, 'refs/tags/') && runner.os == 'Linux'
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+ if: runner.os == 'Linux'
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  with:
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  NETLIFY_AUTH_TOKEN: ${{ secrets.NETLIFY_AUTH_TOKEN }}
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  NETLIFY_SITE_ID: ${{ secrets.NETLIFY_SITE_ID }}
@@ -1,6 +1,15 @@
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  {
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  "version": "0.2.0",
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  "configurations": [
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+ {
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+ "type": "lldb",
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+ "request": "launch",
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+ "name": "Cargo launch",
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+ "cargo": {
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+ "args": ["build"]
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+ },
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+ "args": ["single"]
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+ },
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  {
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  "command": "./node_modules/.bin/astro dev",
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  "name": "Development server",
@@ -302,7 +302,7 @@ dependencies = [
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  [[package]]
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  name = "frontend"
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- version = "0.2.0"
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+ version = "0.2.3"
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  dependencies = [
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  "console_error_panic_hook",
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  "futures",
@@ -443,15 +443,17 @@ checksum = "2304e00983f87ffb38b55b444b5e3b60a884b5d30c0fca7d82fe33449bbe55ea"
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  [[package]]
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  name = "in_silico_cancer_cell"
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- version = "0.2.0"
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+ version = "0.2.3"
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  dependencies = [
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  "argmin",
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  "argmin-math",
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  "clap",
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+ "getrandom",
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  "log",
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  "matfile",
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  "nalgebra",
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  "pyo3",
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+ "rand",
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  "regex",
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  "serde",
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  "serde_json",
@@ -750,9 +752,9 @@ checksum = "5b40af805b3121feab8a3c29f04d8ad262fa8e0561883e7653e024ae4479e6de"
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  [[package]]
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  name = "proc-macro2"
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- version = "1.0.84"
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+ version = "1.0.85"
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  source = "registry+https://github.com/rust-lang/crates.io-index"
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- checksum = "ec96c6a92621310b51366f1e28d05ef11489516e93be030060e5fc12024a49d6"
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+ checksum = "22244ce15aa966053a896d1accb3a6e68469b97c7f33f284b99f0d576879fc23"
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  dependencies = [
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  "unicode-ident",
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  ]
@@ -1,6 +1,6 @@
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  [package]
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  name = "in_silico_cancer_cell"
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- version = "0.2.0"
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+ version = "0.2.3"
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  edition = "2021"
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  [lib]
@@ -36,6 +36,8 @@ argmin-math = { version = "0.4.0", features = ["nalgebra_latest"], optional = tr
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  serde = { version = "1.0.203", features = ["derive"], optional = true }
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  serde_json = { version = "1.0.117", optional = true }
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  clap = { version = "4.5.4", features = ["derive"], optional = true }
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+ rand = "0.8.5"
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+ getrandom = { version = "0.2.15", features = ["js"] }
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  [profile.release]
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  # This makes the compiled code faster and smaller, but it makes compiling slower,
@@ -1,11 +1,14 @@
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  Metadata-Version: 2.3
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  Name: in_silico_cancer_cell
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- Version: 0.2.0
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+ Version: 0.2.3
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  Classifier: Programming Language :: Rust
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  Classifier: Programming Language :: Python :: Implementation :: CPython
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  Classifier: Programming Language :: Python :: Implementation :: PyPy
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+ Summary: Simulation of an electrophysiological A549 cancer cell model using individual ion channels across the membrane
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  Requires-Python: >=3.10
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  Description-Content-Type: text/markdown; charset=UTF-8; variant=GFM
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+ Project-URL: homepage, https://in-silico-cancer-cell.waldert.at/
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+ Project-URL: repository, https://github.com/MrP01/InSilicoCancerCell
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  # Electrophysiological Cancer Cell Model
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@@ -26,3 +29,7 @@ This software comes in three flavours:
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  This computational model is based on [Langthaler et al., 2021](https://journals.plos.org/ploscompbiol/article?id=10.1371/journal.pcbi.1009091): **A549 in-silico 1.0: A first computational model to simulate cell cycle dependent ion current modulation in the human lung adenocarcinoma**.
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+ ## The Simulation Dashboard
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+
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+ ![Screenshot of the User Interface](./figures/screenshot.png)
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+
@@ -16,3 +16,7 @@ This software comes in three flavours:
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  (Image source: [here](https://doi.org/10.1371/journal.pcbi.1009091.g002)).
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  This computational model is based on [Langthaler et al., 2021](https://journals.plos.org/ploscompbiol/article?id=10.1371/journal.pcbi.1009091): **A549 in-silico 1.0: A first computational model to simulate cell cycle dependent ion current modulation in the human lung adenocarcinoma**.
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+
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+ ## The Simulation Dashboard
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+
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+ ![Screenshot of the User Interface](./figures/screenshot.png)