athanor_bio_tools 0.1.1__tar.gz

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Files changed (122) hide show
  1. athanor_bio_tools-0.1.1/Cargo.lock +686 -0
  2. athanor_bio_tools-0.1.1/Cargo.toml +42 -0
  3. athanor_bio_tools-0.1.1/LICENSE +25 -0
  4. athanor_bio_tools-0.1.1/PKG-INFO +272 -0
  5. athanor_bio_tools-0.1.1/PYPI_LICENSE +25 -0
  6. athanor_bio_tools-0.1.1/PYPI_README.md +250 -0
  7. athanor_bio_tools-0.1.1/README.md +250 -0
  8. athanor_bio_tools-0.1.1/examples/readme_install.rs +21 -0
  9. athanor_bio_tools-0.1.1/examples/readme_run.rs +15 -0
  10. athanor_bio_tools-0.1.1/publish.ps1 +261 -0
  11. athanor_bio_tools-0.1.1/pyproject.toml +36 -0
  12. athanor_bio_tools-0.1.1/python/Cargo.lock +754 -0
  13. athanor_bio_tools-0.1.1/python/Cargo.toml +17 -0
  14. athanor_bio_tools-0.1.1/python/PYPI_LICENSE +25 -0
  15. athanor_bio_tools-0.1.1/python/PYPI_README.md +250 -0
  16. athanor_bio_tools-0.1.1/python/install.ps1 +2 -0
  17. athanor_bio_tools-0.1.1/python/rustfmt.toml +2 -0
  18. athanor_bio_tools-0.1.1/python/src/lib.rs +607 -0
  19. athanor_bio_tools-0.1.1/python/src/metadata.rs +651 -0
  20. athanor_bio_tools-0.1.1/python/src/run.rs +178 -0
  21. athanor_bio_tools-0.1.1/rustfmt.toml +2 -0
  22. athanor_bio_tools-0.1.1/src/input.rs +57 -0
  23. athanor_bio_tools-0.1.1/src/install/alphafold3.rs +14 -0
  24. athanor_bio_tools-0.1.1/src/install/boltz2.rs +39 -0
  25. athanor_bio_tools-0.1.1/src/install/boltzgen.rs +13 -0
  26. athanor_bio_tools-0.1.1/src/install/common.rs +1299 -0
  27. athanor_bio_tools-0.1.1/src/install/conda_tools.rs +417 -0
  28. athanor_bio_tools-0.1.1/src/install/igblast.rs +132 -0
  29. athanor_bio_tools-0.1.1/src/install/mod.rs +611 -0
  30. athanor_bio_tools-0.1.1/src/install/opendde.rs +136 -0
  31. athanor_bio_tools-0.1.1/src/install/protein_mpnn.rs +103 -0
  32. athanor_bio_tools-0.1.1/src/install/python_tools.rs +779 -0
  33. athanor_bio_tools-0.1.1/src/install/uninstall.rs +172 -0
  34. athanor_bio_tools-0.1.1/src/lib.rs +360 -0
  35. athanor_bio_tools-0.1.1/src/main.rs +220 -0
  36. athanor_bio_tools-0.1.1/src/output.rs +4 -0
  37. athanor_bio_tools-0.1.1/src/run.rs +711 -0
  38. athanor_bio_tools-0.1.1/src/run_log.rs +435 -0
  39. athanor_bio_tools-0.1.1/src/status.rs +520 -0
  40. athanor_bio_tools-0.1.1/src/tool_definitions/catalog/abmpnn.rs +33 -0
  41. athanor_bio_tools-0.1.1/src/tool_definitions/catalog/aggrescan3d.rs +28 -0
  42. athanor_bio_tools-0.1.1/src/tool_definitions/catalog/alphafold3.rs +31 -0
  43. athanor_bio_tools-0.1.1/src/tool_definitions/catalog/antibody_annotator.rs +33 -0
  44. athanor_bio_tools-0.1.1/src/tool_definitions/catalog/antifold.rs +33 -0
  45. athanor_bio_tools-0.1.1/src/tool_definitions/catalog/bindcraft.rs +32 -0
  46. athanor_bio_tools-0.1.1/src/tool_definitions/catalog/biophi.rs +26 -0
  47. athanor_bio_tools-0.1.1/src/tool_definitions/catalog/boltz2.rs +36 -0
  48. athanor_bio_tools-0.1.1/src/tool_definitions/catalog/boltz_adme.rs +39 -0
  49. athanor_bio_tools-0.1.1/src/tool_definitions/catalog/boltzgen.rs +36 -0
  50. athanor_bio_tools-0.1.1/src/tool_definitions/catalog/catpred.rs +31 -0
  51. athanor_bio_tools-0.1.1/src/tool_definitions/catalog/chai1.rs +31 -0
  52. athanor_bio_tools-0.1.1/src/tool_definitions/catalog/deepimmuno.rs +29 -0
  53. athanor_bio_tools-0.1.1/src/tool_definitions/catalog/deepsp.rs +31 -0
  54. athanor_bio_tools-0.1.1/src/tool_definitions/catalog/deepstabp.rs +26 -0
  55. athanor_bio_tools-0.1.1/src/tool_definitions/catalog/dlkcat.rs +29 -0
  56. athanor_bio_tools-0.1.1/src/tool_definitions/catalog/esmfold2.rs +30 -0
  57. athanor_bio_tools-0.1.1/src/tool_definitions/catalog/fields/abmpnn.json +85 -0
  58. athanor_bio_tools-0.1.1/src/tool_definitions/catalog/fields/aggrescan3d.json +117 -0
  59. athanor_bio_tools-0.1.1/src/tool_definitions/catalog/fields/alphafold3.json +101 -0
  60. athanor_bio_tools-0.1.1/src/tool_definitions/catalog/fields/antibody_annotator.json +123 -0
  61. athanor_bio_tools-0.1.1/src/tool_definitions/catalog/fields/antifold.json +101 -0
  62. athanor_bio_tools-0.1.1/src/tool_definitions/catalog/fields/bindcraft.json +451 -0
  63. athanor_bio_tools-0.1.1/src/tool_definitions/catalog/fields/biophi.json +82 -0
  64. athanor_bio_tools-0.1.1/src/tool_definitions/catalog/fields/boltz2.json +464 -0
  65. athanor_bio_tools-0.1.1/src/tool_definitions/catalog/fields/boltz_adme.json +21 -0
  66. athanor_bio_tools-0.1.1/src/tool_definitions/catalog/fields/boltzgen.json +1064 -0
  67. athanor_bio_tools-0.1.1/src/tool_definitions/catalog/fields/catpred.json +130 -0
  68. athanor_bio_tools-0.1.1/src/tool_definitions/catalog/fields/chai1.json +339 -0
  69. athanor_bio_tools-0.1.1/src/tool_definitions/catalog/fields/deepimmuno.json +78 -0
  70. athanor_bio_tools-0.1.1/src/tool_definitions/catalog/fields/deepsp.json +53 -0
  71. athanor_bio_tools-0.1.1/src/tool_definitions/catalog/fields/deepstabp.json +78 -0
  72. athanor_bio_tools-0.1.1/src/tool_definitions/catalog/fields/dlkcat.json +85 -0
  73. athanor_bio_tools-0.1.1/src/tool_definitions/catalog/fields/esmfold2.json +117 -0
  74. athanor_bio_tools-0.1.1/src/tool_definitions/catalog/fields/genie3.json +133 -0
  75. athanor_bio_tools-0.1.1/src/tool_definitions/catalog/fields/germinal.json +126 -0
  76. athanor_bio_tools-0.1.1/src/tool_definitions/catalog/fields/gromacs.json +140 -0
  77. athanor_bio_tools-0.1.1/src/tool_definitions/catalog/fields/highfold.json +211 -0
  78. athanor_bio_tools-0.1.1/src/tool_definitions/catalog/fields/igblast.json +307 -0
  79. athanor_bio_tools-0.1.1/src/tool_definitions/catalog/fields/igdesign.json +149 -0
  80. athanor_bio_tools-0.1.1/src/tool_definitions/catalog/fields/immunebuilder.json +207 -0
  81. athanor_bio_tools-0.1.1/src/tool_definitions/catalog/fields/ligandmpnn.json +419 -0
  82. athanor_bio_tools-0.1.1/src/tool_definitions/catalog/fields/mber.json +133 -0
  83. athanor_bio_tools-0.1.1/src/tool_definitions/catalog/fields/mod.rs +48 -0
  84. athanor_bio_tools-0.1.1/src/tool_definitions/catalog/fields/netsolp.json +95 -0
  85. athanor_bio_tools-0.1.1/src/tool_definitions/catalog/fields/opendde.json +259 -0
  86. athanor_bio_tools-0.1.1/src/tool_definitions/catalog/fields/orca.json +156 -0
  87. athanor_bio_tools-0.1.1/src/tool_definitions/catalog/fields/pdbbind.json +70 -0
  88. athanor_bio_tools-0.1.1/src/tool_definitions/catalog/fields/placer.json +182 -0
  89. athanor_bio_tools-0.1.1/src/tool_definitions/catalog/fields/proteinmpnn.json +271 -0
  90. athanor_bio_tools-0.1.1/src/tool_definitions/catalog/fields/proteinmpnn_ddg.json +150 -0
  91. athanor_bio_tools-0.1.1/src/tool_definitions/catalog/fields/protenix.json +380 -0
  92. athanor_bio_tools-0.1.1/src/tool_definitions/catalog/fields/rdkit.json +62 -0
  93. athanor_bio_tools-0.1.1/src/tool_definitions/catalog/fields/rfantibody.json +117 -0
  94. athanor_bio_tools-0.1.1/src/tool_definitions/catalog/fields/rfdiffusion.json +816 -0
  95. athanor_bio_tools-0.1.1/src/tool_definitions/catalog/fields/tap.json +139 -0
  96. athanor_bio_tools-0.1.1/src/tool_definitions/catalog/fields/thermompnn.json +94 -0
  97. athanor_bio_tools-0.1.1/src/tool_definitions/catalog/fields/tlimmuno.json +78 -0
  98. athanor_bio_tools-0.1.1/src/tool_definitions/catalog/genie3.rs +34 -0
  99. athanor_bio_tools-0.1.1/src/tool_definitions/catalog/germinal.rs +33 -0
  100. athanor_bio_tools-0.1.1/src/tool_definitions/catalog/gromacs.rs +31 -0
  101. athanor_bio_tools-0.1.1/src/tool_definitions/catalog/highfold.rs +29 -0
  102. athanor_bio_tools-0.1.1/src/tool_definitions/catalog/igblast.rs +28 -0
  103. athanor_bio_tools-0.1.1/src/tool_definitions/catalog/igdesign.rs +30 -0
  104. athanor_bio_tools-0.1.1/src/tool_definitions/catalog/immunebuilder.rs +34 -0
  105. athanor_bio_tools-0.1.1/src/tool_definitions/catalog/ligandmpnn.rs +34 -0
  106. athanor_bio_tools-0.1.1/src/tool_definitions/catalog/mber.rs +32 -0
  107. athanor_bio_tools-0.1.1/src/tool_definitions/catalog/mod.rs +213 -0
  108. athanor_bio_tools-0.1.1/src/tool_definitions/catalog/netsolp.rs +31 -0
  109. athanor_bio_tools-0.1.1/src/tool_definitions/catalog/opendde.rs +31 -0
  110. athanor_bio_tools-0.1.1/src/tool_definitions/catalog/orca.rs +31 -0
  111. athanor_bio_tools-0.1.1/src/tool_definitions/catalog/pdbbind.rs +29 -0
  112. athanor_bio_tools-0.1.1/src/tool_definitions/catalog/placer.rs +29 -0
  113. athanor_bio_tools-0.1.1/src/tool_definitions/catalog/proteinmpnn.rs +36 -0
  114. athanor_bio_tools-0.1.1/src/tool_definitions/catalog/proteinmpnn_ddg.rs +33 -0
  115. athanor_bio_tools-0.1.1/src/tool_definitions/catalog/protenix.rs +27 -0
  116. athanor_bio_tools-0.1.1/src/tool_definitions/catalog/rdkit.rs +26 -0
  117. athanor_bio_tools-0.1.1/src/tool_definitions/catalog/rfantibody.rs +26 -0
  118. athanor_bio_tools-0.1.1/src/tool_definitions/catalog/rfdiffusion.rs +34 -0
  119. athanor_bio_tools-0.1.1/src/tool_definitions/catalog/tap.rs +32 -0
  120. athanor_bio_tools-0.1.1/src/tool_definitions/catalog/thermompnn.rs +33 -0
  121. athanor_bio_tools-0.1.1/src/tool_definitions/catalog/tlimmuno.rs +33 -0
  122. athanor_bio_tools-0.1.1/src/tool_definitions/mod.rs +352 -0
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