--- a
+++ b/conda.yml
@@ -0,0 +1,139 @@
+name: predict_drug_clinical_trial
+channels:
+  - rdkit
+  - conda-forge
+  - anaconda
+  - defaults
+dependencies:
+  - _pytorch_select=0.1=cpu_0
+  - beautifulsoup4=4.9.3=pyhb0f4dca_0
+  - blas=1.0=mkl
+  - brotlipy=0.7.0=py37haf1e3a3_1000
+  - bzip2=1.0.8=h1de35cc_0
+  - ca-certificates=2020.10.14=0
+  - cairo=1.14.12=hc4e6be7_4
+  - certifi=2020.6.20=py37_0
+  - cffi=1.14.0=py37hc512035_1
+  - cryptography=3.1.1=py37hddc9c9b_0
+  - cycler=0.10.0=py37_0
+  - decorator=4.4.2=py_0
+  - fontconfig=2.13.0=h5d5b041_1
+  - freetype=2.10.2=ha233b18_0
+  - gettext=0.19.8.1=hb0f4f8b_2
+  - glib=2.65.0=hc5f4afa_0
+  - icu=58.2=h0a44026_3
+  - idna=2.10=py_0
+  - intel-openmp=2019.4=233
+  - joblib=0.16.0=py_0
+  - jpeg=9b=he5867d9_2
+  - kiwisolver=1.2.0=py37h04f5b5a_0
+  - lcms2=2.11=h92f6f08_0
+  - libboost=1.67.0=hebc422b_4
+  - libcxx=10.0.0=1
+  - libedit=3.1.20191231=haf1e3a3_0
+  - libffi=3.3=h0a44026_1
+  - libgfortran=3.0.1=h93005f0_2
+  - libiconv=1.16=h1de35cc_0
+  - libpng=1.6.37=ha441bb4_0
+  - libtiff=4.1.0=hcb84e12_1
+  - libxml2=2.9.10=h3b9e6c8_1
+  - libxslt=1.1.34=h83b36ba_0
+  - llvm-openmp=10.0.0=h28b9765_0
+  - lxml=4.6.1=py37h63b7cb6_0
+  - lz4-c=1.9.2=h0a44026_0
+  - matplotlib=3.2.2=0
+  - matplotlib-base=3.2.2=py37h5670ca0_0
+  - mkl=2019.4=233
+  - mkl-service=2.3.0=py37hfbe908c_0
+  - mkl_fft=1.1.0=py37hc64f4ea_0
+  - mkl_random=1.1.1=py37h959d312_0
+  - ncurses=6.2=h0a44026_1
+  - networkx=2.5=py_0
+  - ninja=1.9.0=py37h04f5b5a_0
+  - numpy=1.18.5=py37h1da2735_0
+  - numpy-base=1.18.5=py37h3304bdc_0
+  - olefile=0.46=py37_0
+  - openssl=1.1.1h=haf1e3a3_0
+  - pandas=1.0.5=py37h959d312_0
+  - pcre=8.44=hb1e8313_0
+  - pillow=7.2.0=py37ha54b6ba_0
+  - pip=20.1.1=py37_1
+  - pixman=0.40.0=haf1e3a3_0
+  - py-boost=1.67.0=py37h6440ff4_4
+  - pycparser=2.20=py_0
+  - pyopenssl=19.1.0=py_1
+  - pyparsing=2.4.7=py_0
+  - pysocks=1.7.1=py37_0
+  - python=3.7.7=hf48f09d_4
+  - python-dateutil=2.8.1=py_0
+  - python-wget=3.2=py_0
+  - python_abi=3.7=1_cp37m
+  - pytz=2020.1=py_0
+  - rdkit=2020.03.3.0=py37h65625ec_1
+  - readline=8.0=h1de35cc_0
+  - scikit-learn=0.23.1=py37h603561c_0
+  - seaborn=0.11.0=py_0
+  - setuptools=47.3.1=py37_0
+  - six=1.15.0=py_0
+  - soupsieve=2.0.1=py_0
+  - sqlite=3.32.3=hffcf06c_0
+  - threadpoolctl=2.1.0=pyh5ca1d4c_0
+  - tk=8.6.10=hb0a8c7a_0
+  - tornado=6.0.4=py37h1de35cc_1
+  - wget=1.20.1=h051b688_0
+  - wheel=0.34.2=py37_0
+  - xlrd=1.2.0=py37_0
+  - xz=5.2.5=h1de35cc_0
+  - zlib=1.2.11=h1de35cc_3
+  - zstd=1.4.4=h1990bb4_3
+  - pip:
+    - absl-py==0.9.0
+    - astunparse==1.6.3
+    - biobert-embedding==0.1.2
+    - boto3==1.14.16
+    - botocore==1.17.16
+    - cachetools==4.1.1
+    - chardet==3.0.4
+    - cssselect==1.1.0
+    - docutils==0.15.2
+    - drugdataloader==0.1
+    - future==0.18.2
+    - gast==0.3.3
+    - google-auth==1.18.0
+    - google-auth-oauthlib==0.4.1
+    - google-pasta==0.2.0
+    - graphics-py==5.0.1.post1
+    - grpcio==1.30.0
+    - h5py==2.10.0
+    - html2json==0.2.4.1
+    - icd10-cm==0.0.4
+    - importlib-metadata==1.7.0
+    - jmespath==0.10.0
+    - keras-preprocessing==1.1.2
+    - markdown==3.2.2
+    - oauthlib==3.1.0
+    - opt-einsum==3.2.1
+    - protobuf==3.12.2
+    - pyasn1==0.4.8
+    - pyasn1-modules==0.2.8
+    - pypdf2==1.26.0
+    - pyquery==1.4.1
+    - pytorch-pretrained-bert==0.6.2
+    - regex==2020.6.8
+    - requests==2.24.0
+    - requests-oauthlib==1.3.0
+    - rsa==4.6
+    - s3transfer==0.3.3
+    - scipy==1.4.1
+    - tensorboard==2.2.2
+    - tensorboard-plugin-wit==1.7.0
+    - tensorflow==2.2.0
+    - tensorflow-estimator==2.2.0
+    - termcolor==1.1.0
+    - torch==1.2.0
+    - tqdm==4.47.0
+    - urllib3==1.25.9
+    - werkzeug==1.0.1
+    - wrapt==1.12.1
+    - zipp==3.1.0
+