projet de deep-learning. Apprentissage de poches de liaison de protéines-ligands

config.yml 3.1KB

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  1. name: projet-dl
  2. channels:
  3. - defaults
  4. dependencies:
  5. - _libgcc_mutex=0.1=main
  6. - attrs=19.1.0=py37_1
  7. - backcall=0.1.0=py37_0
  8. - blas=1.0=mkl
  9. - bleach=3.1.0=py37_0
  10. - ca-certificates=2019.5.15=1
  11. - certifi=2019.6.16=py37_1
  12. - dbus=1.13.6=h746ee38_0
  13. - decorator=4.4.0=py37_1
  14. - defusedxml=0.6.0=py_0
  15. - entrypoints=0.3=py37_0
  16. - expat=2.2.6=he6710b0_0
  17. - fontconfig=2.13.0=h9420a91_0
  18. - freetype=2.9.1=h8a8886c_1
  19. - glib=2.56.2=hd408876_0
  20. - gmp=6.1.2=h6c8ec71_1
  21. - gst-plugins-base=1.14.0=hbbd80ab_1
  22. - gstreamer=1.14.0=hb453b48_1
  23. - icu=58.2=h9c2bf20_1
  24. - intel-openmp=2019.4=243
  25. - ipykernel=5.1.2=py37h39e3cac_0
  26. - ipython=7.8.0=py37h39e3cac_0
  27. - ipython_genutils=0.2.0=py37_0
  28. - ipywidgets=7.5.1=py_0
  29. - jedi=0.15.1=py37_0
  30. - jinja2=2.10.1=py37_0
  31. - jpeg=9b=h024ee3a_2
  32. - json5=0.8.5=py_0
  33. - jsonschema=3.0.2=py37_0
  34. - jupyter=1.0.0=py37_7
  35. - jupyter_client=5.3.1=py_0
  36. - jupyter_console=6.0.0=py37_0
  37. - jupyter_core=4.5.0=py_0
  38. - jupyterlab=1.1.3=pyhf63ae98_0
  39. - jupyterlab_server=1.0.0=py_1
  40. - libedit=3.1.20181209=hc058e9b_0
  41. - libffi=3.2.1=hd88cf55_4
  42. - libgcc-ng=9.1.0=hdf63c60_0
  43. - libgfortran-ng=7.3.0=hdf63c60_0
  44. - libpng=1.6.37=hbc83047_0
  45. - libsodium=1.0.16=h1bed415_0
  46. - libstdcxx-ng=9.1.0=hdf63c60_0
  47. - libuuid=1.0.3=h1bed415_2
  48. - libxcb=1.13=h1bed415_1
  49. - libxml2=2.9.9=hea5a465_1
  50. - markupsafe=1.1.1=py37h7b6447c_0
  51. - mistune=0.8.4=py37h7b6447c_0
  52. - mkl=2019.4=243
  53. - mkl-service=2.3.0=py37he904b0f_0
  54. - mkl_fft=1.0.14=py37ha843d7b_0
  55. - mkl_random=1.0.2=py37hd81dba3_0
  56. - nbconvert=5.5.0=py_0
  57. - nbformat=4.4.0=py37_0
  58. - ncurses=6.1=he6710b0_1
  59. - notebook=6.0.1=py37_0
  60. - numpy=1.16.5=py37h7e9f1db_0
  61. - numpy-base=1.16.5=py37hde5b4d6_0
  62. - openssl=1.1.1d=h7b6447c_1
  63. - pandas=0.25.1=py37he6710b0_0
  64. - pandoc=2.2.3.2=0
  65. - pandocfilters=1.4.2=py37_1
  66. - parso=0.5.1=py_0
  67. - pcre=8.43=he6710b0_0
  68. - pexpect=4.7.0=py37_0
  69. - pickleshare=0.7.5=py37_0
  70. - pip=19.2.2=py37_0
  71. - prometheus_client=0.7.1=py_0
  72. - prompt_toolkit=2.0.9=py37_0
  73. - ptyprocess=0.6.0=py37_0
  74. - pygments=2.4.2=py_0
  75. - pyqt=5.9.2=py37h05f1152_2
  76. - pyrsistent=0.14.11=py37h7b6447c_0
  77. - python=3.7.4=h265db76_1
  78. - python-dateutil=2.8.0=py37_0
  79. - pytz=2019.2=py_0
  80. - pyzmq=18.1.0=py37he6710b0_0
  81. - qt=5.9.7=h5867ecd_1
  82. - qtconsole=4.5.5=py_0
  83. - readline=7.0=h7b6447c_5
  84. - scipy=1.3.1=py37h7c811a0_0
  85. - send2trash=1.5.0=py37_0
  86. - setuptools=41.0.1=py37_0
  87. - sip=4.19.8=py37hf484d3e_0
  88. - six=1.12.0=py37_0
  89. - sqlite=3.29.0=h7b6447c_0
  90. - terminado=0.8.2=py37_0
  91. - testpath=0.4.2=py37_0
  92. - tk=8.6.8=hbc83047_0
  93. - tornado=6.0.3=py37h7b6447c_0
  94. - traitlets=4.3.2=py37_0
  95. - wcwidth=0.1.7=py37_0
  96. - webencodings=0.5.1=py37_1
  97. - wheel=0.33.4=py37_0
  98. - widgetsnbextension=3.5.1=py37_0
  99. - xz=5.2.4=h14c3975_4
  100. - zeromq=4.3.1=he6710b0_3
  101. - zlib=1.2.11=h7b6447c_3
  102. - pip:
  103. - biopython==1.74
  104. - cycler==0.10.0
  105. - griddataformats==0.5.0
  106. - gsd==1.8.1
  107. - joblib==0.13.2
  108. - kiwisolver==1.1.0
  109. - matplotlib==3.1.1
  110. - mdanalysis==0.20.1
  111. - mmtf-python==1.1.2
  112. - mock==3.0.5
  113. - msgpack==0.6.1
  114. - networkx==2.3
  115. - pbxplore==1.3.8
  116. - pillow==6.1.0
  117. - pyclustering==0.9.1
  118. - pyparsing==2.4.2
  119. - keras
  120. - sklearn