|
| 1 | +name: rdkit-training |
| 2 | +channels: |
| 3 | + - rdkit |
| 4 | + - defaults |
| 5 | +dependencies: |
| 6 | + - blas=1.0=mkl |
| 7 | + - cairo=1.16.0=h1c23506_3 |
| 8 | + - certifi=2021.5.30=py36haa95532_0 |
| 9 | + - expat=2.4.9=h6c2663c_0 |
| 10 | + - fontconfig=2.14.1=hc0defaf_1 |
| 11 | + - freetype=2.12.1=ha860e81_0 |
| 12 | + - glib=2.69.1=h5dc1a3c_2 |
| 13 | + - intel-openmp=2022.1.0=h59b6b97_3788 |
| 14 | + - jpeg=9e=h2bbff1b_0 |
| 15 | + - lerc=3.0=hd77b12b_0 |
| 16 | + - libboost=1.67.0=hd9e427e_4 |
| 17 | + - libdeflate=1.8=h2bbff1b_5 |
| 18 | + - libffi=3.4.2=hd77b12b_6 |
| 19 | + - libiconv=1.16=h2bbff1b_2 |
| 20 | + - libpng=1.6.37=h2a8f88b_0 |
| 21 | + - libtiff=4.5.0=h6c2663c_1 |
| 22 | + - libxml2=2.9.14=h0ad7f3c_0 |
| 23 | + - lz4-c=1.9.4=h2bbff1b_0 |
| 24 | + - mkl=2020.2=256 |
| 25 | + - mkl-service=2.3.0=py36h196d8e1_0 |
| 26 | + - mkl_fft=1.3.0=py36h46781fe_0 |
| 27 | + - mkl_random=1.1.1=py36h47e9c7a_0 |
| 28 | + - numpy=1.19.2=py36hadc3359_0 |
| 29 | + - numpy-base=1.19.2=py36ha3acd2a_0 |
| 30 | + - olefile=0.46=py36_0 |
| 31 | + - pandas=1.1.5=py36hd77b12b_0 |
| 32 | + - pcre=8.45=hd77b12b_0 |
| 33 | + - pillow=8.3.1=py36h4fa10fc_0 |
| 34 | + - pip=21.2.2=py36haa95532_0 |
| 35 | + - pixman=0.40.0=h2bbff1b_1 |
| 36 | + - py-boost=1.67.0=py36h8300f20_4 |
| 37 | + - python=3.6.13=h3758d61_0 |
| 38 | + - python-dateutil=2.8.2=pyhd3eb1b0_0 |
| 39 | + - pytz=2021.3=pyhd3eb1b0_0 |
| 40 | + - rdkit=2020.09.1.0=py36h3d1ada6_1 |
| 41 | + - setuptools=58.0.4=py36haa95532_0 |
| 42 | + - six=1.16.0=pyhd3eb1b0_1 |
| 43 | + - sqlite=3.40.1=h2bbff1b_0 |
| 44 | + - tk=8.6.12=h2bbff1b_0 |
| 45 | + - vc=14.2=h21ff451_1 |
| 46 | + - vs2015_runtime=14.27.29016=h5e58377_2 |
| 47 | + - wheel=0.37.1=pyhd3eb1b0_0 |
| 48 | + - wincertstore=0.2=py36h7fe50ca_0 |
| 49 | + - xz=5.2.10=h8cc25b3_1 |
| 50 | + - zlib=1.2.13=h8cc25b3_0 |
| 51 | + - zstd=1.5.2=h19a0ad4_0 |
| 52 | + - pip: |
| 53 | + - argon2-cffi==21.3.0 |
| 54 | + - argon2-cffi-bindings==21.2.0 |
| 55 | + - async-generator==1.10 |
| 56 | + - attrs==22.2.0 |
| 57 | + - backcall==0.2.0 |
| 58 | + - bleach==4.1.0 |
| 59 | + - cffi==1.15.1 |
| 60 | + - colorama==0.4.5 |
| 61 | + - cycler==0.11.0 |
| 62 | + - dataclasses==0.8 |
| 63 | + - decorator==5.1.1 |
| 64 | + - defusedxml==0.7.1 |
| 65 | + - entrypoints==0.4 |
| 66 | + - importlib-metadata==4.8.3 |
| 67 | + - ipykernel==5.5.6 |
| 68 | + - ipython==7.16.3 |
| 69 | + - ipython-genutils==0.2.0 |
| 70 | + - ipywidgets==7.7.3 |
| 71 | + - jedi==0.17.2 |
| 72 | + - jinja2==3.0.3 |
| 73 | + - jsonschema==3.2.0 |
| 74 | + - jupyter==1.0.0 |
| 75 | + - jupyter-client==7.1.2 |
| 76 | + - jupyter-console==6.4.3 |
| 77 | + - jupyter-core==4.9.2 |
| 78 | + - jupyterlab-pygments==0.1.2 |
| 79 | + - jupyterlab-widgets==1.1.2 |
| 80 | + - kiwisolver==1.3.1 |
| 81 | + - markupsafe==2.0.1 |
| 82 | + - matplotlib==3.3.4 |
| 83 | + - mistune==0.8.4 |
| 84 | + - nbclient==0.5.9 |
| 85 | + - nbconvert==6.0.7 |
| 86 | + - nbformat==5.1.3 |
| 87 | + - nest-asyncio==1.5.6 |
| 88 | + - notebook==6.4.10 |
| 89 | + - packaging==21.3 |
| 90 | + - pandocfilters==1.5.0 |
| 91 | + - parso==0.7.1 |
| 92 | + - pickleshare==0.7.5 |
| 93 | + - prometheus-client==0.16.0 |
| 94 | + - prompt-toolkit==3.0.36 |
| 95 | + - pycparser==2.21 |
| 96 | + - pygments==2.14.0 |
| 97 | + - pyparsing==3.0.9 |
| 98 | + - pyrsistent==0.18.0 |
| 99 | + - pywin32==305 |
| 100 | + - pywinpty==1.1.6 |
| 101 | + - pyzmq==25.0.0 |
| 102 | + - qtconsole==5.2.2 |
| 103 | + - qtpy==2.0.1 |
| 104 | + - scipy==1.5.4 |
| 105 | + - seaborn==0.11.2 |
| 106 | + - send2trash==1.8.0 |
| 107 | + - terminado==0.12.1 |
| 108 | + - testpath==0.6.0 |
| 109 | + - tornado==6.1 |
| 110 | + - traitlets==4.3.3 |
| 111 | + - typing-extensions==4.1.1 |
| 112 | + - wcwidth==0.2.6 |
| 113 | + - webencodings==0.5.1 |
| 114 | + - widgetsnbextension==3.6.2 |
| 115 | + - zipp==3.6.0 |
| 116 | +prefix: C:\Users\sunee\anaconda3\envs\rdkit-training |
0 commit comments