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Merge pull request #98 from flatironinstitute/update-deps
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Updating dependencies
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mortonjt authored Mar 31, 2022
2 parents 05aec99 + b5bd93b commit a6e98c3
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371 changes: 226 additions & 145 deletions ci/conda_requirements.yml
Original file line number Diff line number Diff line change
@@ -1,153 +1,234 @@
name: deepblast2
channels:
- pytorch
- conda-forge
- bioconda
- defaults
dependencies:
- bzip2=1.0.8=h516909a_0
- cffi=1.12.3=py37h8022711_0
- cycler=0.10.0=py_1
- freetype=2.10.0=he983fc9_1
- icu=64.2=he1b5a44_1
- joblib=0.13.2=py_0
- kiwisolver=1.1.0=py37hc9558a2_0
- libblas=3.8.0=12_openblas
- libcblas=3.8.0=12_openblas
- libffi=3.2.1=he1b5a44_1006
- liblapack=3.8.0=12_openblas
- libopenblas=0.3.7=h6e990d7_1
- libpng=1.6.37=hed695b0_0
- matplotlib-base=3.1.1=py37he7580a8_1
- ncurses=6.1=hf484d3e_1002
- ninja=1.9.0=h6bb024c_0
- pandas=0.25.1=py37hb3f55d8_0
- patsy=0.5.1=py_0
- pip=19.2.3=py37_0
- pycparser=2.19=py37_1
- pyparsing=2.4.2=py_0
- python=3.7.3=h33d41f4_1
- python-dateutil=2.8.0=py_0
- pytz=2019.2=py_0
- readline=8.0=hf8c457e_0
- scikit-learn=0.21.3=py37hcdab131_0
- seaborn=0.9.0=py_1
- setuptools=41.2.0=py37_0
- six=1.12.0=py37_1000
- sqlite=3.29.0=hcee41ef_1
- statsmodels=0.10.1=py37hc1659b7_0
- tk=8.6.9=hed695b0_1002
- tornado=6.0.3=py37h516909a_0
- tqdm=4.35.0=py_0
- wheel=0.33.6=py37_0
- xz=5.2.4=h14c3975_1001
- zlib=1.2.11=h516909a_1005
- _libgcc_mutex=0.1=main
- backcall=0.1.0=py37_0
- biopython=1.76=py37h7b6447c_0
- blas=1.0=openblas
- ca-certificates=2020.1.1=0
- certifi=2020.4.5.1=py37_0
- cudatoolkit=10.0.130=0
- decorator=4.4.0=py37_1
- flake8=3.8.2=py_0
- importlib-metadata=1.6.0=py37_0
- intel-openmp=2019.4=243
- ipython=7.8.0=py37h39e3cac_0
- ipython_genutils=0.2.0=py37_0
- jedi=0.15.1=py37_0
- libgcc-ng=9.1.0=hdf63c60_0
- libgfortran-ng=7.3.0=hdf63c60_0
- libstdcxx-ng=9.1.0=hdf63c60_0
- mccabe=0.6.1=py37_1
- mkl=2019.4=243
- numpy=1.18.1=py37h94c655d_0
- numpy-base=1.18.1=py37h2f8d375_1
- openssl=1.1.1g=h7b6447c_0
- parso=0.5.1=py_0
- pexpect=4.7.0=py37_0
- pickleshare=0.7.5=py37_0
- prompt_toolkit=2.0.10=py_0
- ptyprocess=0.6.0=py37_0
- pycodestyle=2.6.0=py_0
- pyflakes=2.2.0=py_0
- pygments=2.4.2=py_0
- scipy=1.4.1=py37habc2bb6_0
- traitlets=4.3.3=py37_0
- wcwidth=0.1.7=py37_0
- zipp=3.1.0=py_0
- pytorch=1.4.0=py3.7_cuda10.0.130_cudnn7.6.3_0
- _libgcc_mutex=0.1=conda_forge
- _openmp_mutex=4.5=1_gnu
- alsa-lib=1.2.3=h516909a_0
- argon2-cffi=21.3.0=pyhd8ed1ab_0
- argon2-cffi-bindings=21.2.0=py39h3811e60_1
- asttokens=2.0.5=pyhd8ed1ab_0
- attrs=21.4.0=pyhd8ed1ab_0
- backcall=0.2.0=pyh9f0ad1d_0
- backports=1.0=py_2
- backports.functools_lru_cache=1.6.4=pyhd8ed1ab_0
- biopython=1.79=py39h3811e60_1
- bleach=4.1.0=pyhd8ed1ab_0
- brotli=1.0.9=h7f98852_6
- brotli-bin=1.0.9=h7f98852_6
- bzip2=1.0.8=h7f98852_4
- ca-certificates=2021.10.8=ha878542_0
- certifi=2021.10.8=py39hf3d152e_1
- cffi=1.15.0=py39h4bc2ebd_0
- cycler=0.11.0=pyhd8ed1ab_0
- dbus=1.13.6=h5008d03_3
- debugpy=1.5.1=py39he80948d_0
- decorator=5.1.1=pyhd8ed1ab_0
- defusedxml=0.7.1=pyhd8ed1ab_0
- entrypoints=0.4=pyhd8ed1ab_0
- executing=0.8.3=pyhd8ed1ab_0
- expat=2.4.6=h27087fc_0
- flit-core=3.7.1=pyhd8ed1ab_0
- font-ttf-dejavu-sans-mono=2.37=hab24e00_0
- font-ttf-inconsolata=3.000=h77eed37_0
- font-ttf-source-code-pro=2.038=h77eed37_0
- font-ttf-ubuntu=0.83=hab24e00_0
- fontconfig=2.13.96=ha180cfb_0
- fonts-conda-ecosystem=1=0
- fonts-conda-forge=1=0
- fonttools=4.29.1=py39h3811e60_0
- freetype=2.10.4=h0708190_1
- gettext=0.19.8.1=h73d1719_1008
- giflib=5.2.1=h36c2ea0_2
- gst-plugins-base=1.18.5=hf529b03_3
- gstreamer=1.18.5=h9f60fe5_3
- hmmer=3.3.2=h87f3376_2
- icu=69.1=h9c3ff4c_0
- importlib-metadata=4.11.2=py39hf3d152e_0
- importlib_resources=5.4.0=pyhd8ed1ab_0
- ipykernel=6.9.1=py39hef51801_0
- ipython=8.1.1=py39hf3d152e_0
- ipython_genutils=0.2.0=py_1
- ipywidgets=7.6.5=pyhd8ed1ab_0
- jbig=2.1=h7f98852_2003
- jedi=0.18.1=py39hf3d152e_0
- jinja2=3.0.3=pyhd8ed1ab_0
- jpeg=9e=h7f98852_0
- jsonschema=4.4.0=pyhd8ed1ab_0
- jupyter=1.0.0=py39hf3d152e_7
- jupyter_client=7.1.2=pyhd8ed1ab_0
- jupyter_console=6.4.3=pyhd8ed1ab_0
- jupyter_core=4.9.2=py39hf3d152e_0
- jupyterlab_pygments=0.1.2=pyh9f0ad1d_0
- jupyterlab_widgets=1.0.2=pyhd8ed1ab_0
- keyutils=1.6.1=h166bdaf_0
- kiwisolver=1.3.2=py39h1a9c180_1
- krb5=1.19.2=h3790be6_4
- lcms2=2.12=hddcbb42_0
- ld_impl_linux-64=2.36.1=hea4e1c9_2
- lerc=3.0=h9c3ff4c_0
- libblas=3.9.0=13_linux64_openblas
- libbrotlicommon=1.0.9=h7f98852_6
- libbrotlidec=1.0.9=h7f98852_6
- libbrotlienc=1.0.9=h7f98852_6
- libcblas=3.9.0=13_linux64_openblas
- libclang=13.0.1=default_hc23dcda_0
- libdeflate=1.10=h7f98852_0
- libedit=3.1.20191231=he28a2e2_2
- libevent=2.1.10=h9b69904_4
- libffi=3.4.2=h7f98852_5
- libgcc-ng=11.2.0=h1d223b6_13
- libgfortran-ng=11.2.0=h69a702a_13
- libgfortran5=11.2.0=h5c6108e_13
- libglib=2.70.2=h174f98d_4
- libgomp=11.2.0=h1d223b6_13
- libiconv=1.16=h516909a_0
- liblapack=3.9.0=13_linux64_openblas
- libllvm11=11.1.0=hf817b99_3
- libllvm13=13.0.1=hf817b99_2
- libnsl=2.0.0=h7f98852_0
- libogg=1.3.4=h7f98852_1
- libopenblas=0.3.18=pthreads_h8fe5266_0
- libopus=1.3.1=h7f98852_1
- libpng=1.6.37=h21135ba_2
- libpq=14.2=hd57d9b9_0
- libsodium=1.0.18=h36c2ea0_1
- libstdcxx-ng=11.2.0=he4da1e4_13
- libtiff=4.3.0=h542a066_3
- libuuid=2.32.1=h7f98852_1000
- libvorbis=1.3.7=h9c3ff4c_0
- libwebp=1.2.2=h3452ae3_0
- libwebp-base=1.2.2=h7f98852_1
- libxcb=1.13=h7f98852_1004
- libxkbcommon=1.0.3=he3ba5ed_0
- libxml2=2.9.12=h885dcf4_1
- libzlib=1.2.11=h36c2ea0_1013
- llvmlite=0.38.0=py39h1bbdace_0
- lz4-c=1.9.3=h9c3ff4c_1
- markupsafe=2.1.0=py39hb9d737c_1
- matplotlib=3.5.1=py39hf3d152e_0
- matplotlib-base=3.5.1=py39h2fa2bec_0
- matplotlib-inline=0.1.3=pyhd8ed1ab_0
- mistune=0.8.4=py39h3811e60_1005
- munkres=1.1.4=pyh9f0ad1d_0
- mysql-common=8.0.28=ha770c72_0
- mysql-libs=8.0.28=hfa10184_0
- nbclient=0.5.12=pyhd8ed1ab_0
- nbconvert=6.4.2=py39hf3d152e_0
- nbformat=5.1.3=pyhd8ed1ab_0
- ncurses=6.3=h9c3ff4c_0
- nest-asyncio=1.5.4=pyhd8ed1ab_0
- notebook=6.4.8=pyha770c72_0
- nspr=4.32=h9c3ff4c_1
- nss=3.74=hb5efdd6_0
- numba=0.55.1=py39h56b8d98_0
- numpy=1.21.5=py39haac66dc_0
- openjpeg=2.4.0=hb52868f_1
- openssl=1.1.1l=h7f98852_0
- packaging=21.3=pyhd8ed1ab_0
- pandas=1.4.1=py39hde0f152_0
- pandoc=2.17.1.1=ha770c72_0
- pandocfilters=1.5.0=pyhd8ed1ab_0
- parso=0.8.3=pyhd8ed1ab_0
- pcre=8.45=h9c3ff4c_0
- pexpect=4.8.0=pyh9f0ad1d_2
- pickleshare=0.7.5=py_1003
- pillow=9.0.1=py39hae2aec6_2
- pip=22.0.4=pyhd8ed1ab_0
- prometheus_client=0.13.1=pyhd8ed1ab_0
- prompt-toolkit=3.0.27=pyha770c72_0
- prompt_toolkit=3.0.27=hd8ed1ab_0
- pthread-stubs=0.4=h36c2ea0_1001
- ptyprocess=0.7.0=pyhd3deb0d_0
- pure_eval=0.2.2=pyhd8ed1ab_0
- pycparser=2.21=pyhd8ed1ab_0
- pygments=2.11.2=pyhd8ed1ab_0
- pyparsing=3.0.7=pyhd8ed1ab_0
- pyqt=5.12.3=py39hf3d152e_8
- pyqt-impl=5.12.3=py39hde8b62d_8
- pyqt5-sip=4.19.18=py39he80948d_8
- pyqtchart=5.12=py39h0fcd23e_8
- pyqtwebengine=5.12.1=py39h0fcd23e_8
- pyrsistent=0.18.1=py39h3811e60_0
- python=3.9.10=h85951f9_2_cpython
- python-dateutil=2.8.2=pyhd8ed1ab_0
- python_abi=3.9=2_cp39
- pytz=2021.3=pyhd8ed1ab_0
- pyzmq=22.3.0=py39h37b5a0c_1
- qt=5.12.9=ha98a1a1_5
- qtconsole=5.2.2=pyhd8ed1ab_1
- qtconsole-base=5.2.2=pyhd8ed1ab_1
- qtpy=2.0.1=pyhd8ed1ab_0
- readline=8.1=h46c0cb4_0
- scipy=1.8.0=py39hee8e79c_1
- send2trash=1.8.0=pyhd8ed1ab_0
- setuptools=60.9.3=py39hf3d152e_0
- six=1.16.0=pyh6c4a22f_0
- sqlite=3.37.0=h9cd32fc_0
- stack_data=0.2.0=pyhd8ed1ab_0
- terminado=0.13.3=py39hf3d152e_0
- testpath=0.6.0=pyhd8ed1ab_0
- tk=8.6.12=h27826a3_0
- tornado=6.1=py39h3811e60_2
- traitlets=5.1.1=pyhd8ed1ab_0
- tzdata=2021e=he74cb21_0
- unicodedata2=14.0.0=py39h3811e60_0
- wcwidth=0.2.5=pyh9f0ad1d_2
- webencodings=0.5.1=py_1
- wheel=0.37.1=pyhd8ed1ab_0
- widgetsnbextension=3.5.2=py39hf3d152e_1
- xorg-libxau=1.0.9=h7f98852_0
- xorg-libxdmcp=1.1.3=h7f98852_0
- xz=5.2.5=h516909a_1
- zeromq=4.3.4=h9c3ff4c_1
- zipp=3.7.0=pyhd8ed1ab_1
- zlib=1.2.11=h36c2ea0_1013
- zstd=1.5.2=ha95c52a_0
- pip:
- absl-py==0.9.0
- appdirs==1.4.3
- attrs==19.3.0
- bleach==3.1.0
- cachecontrol==0.12.6
- cachetools==4.1.0
- chardet==3.0.4
- cherrypy==3.2.4
- configparser==4.0.2
- cython==0.29.14
- defusedxml==0.6.0
- entrypoints==0.3
- fairseq==0.8.0
- fastbpe==0.1.0
- absl-py==1.0.0
- aiohttp==3.8.1
- aiosignal==1.2.0
- async-timeout==4.0.2
- cachetools==5.0.0
- charset-normalizer==2.0.12
- frozenlist==1.3.0
- fsspec==2022.2.0
- future==0.18.2
- google-auth==1.16.1
- google-auth-oauthlib==0.4.1
- grpcio==1.29.0
- hdmedians==0.13
- idna==2.8
- ipykernel==5.1.3
- ipywidgets==7.5.1
- jinja2==2.10.3
- jsonschema==3.2.0
- jupyter==1.0.0
- jupyter-client==5.3.4
- jupyter-console==6.0.0
- jupyter-core==4.6.1
- llvmlite==0.31.0
- lockfile==0.12.2
- markdown==3.2.2
- markupsafe==1.1.1
- matplotlib==3.1.1
- mistune==0.8.4
- more-itertools==8.0.2
- msgpack==0.6.2
- natsort==6.2.0
- nbconvert==5.6.1
- nbformat==4.4.0
- notebook==6.0.2
- numba==0.47.0
- oauthlib==3.1.0
- packaging==20.1
- pandocfilters==1.4.2
- pluggy==0.13.1
- portalocker==1.5.1
- prometheus-client==0.7.1
- protobuf==3.12.2
- py==1.8.1
- google-auth==2.6.0
- google-auth-oauthlib==0.4.6
- grpcio==1.44.0
- idna==3.3
- iniconfig==1.1.1
- joblib==1.1.0
- markdown==3.3.6
- multidict==6.0.2
- oauthlib==3.2.0
- pluggy==1.0.0
- protobuf==3.19.4
- py==1.11.0
- pyasn1==0.4.8
- pyasn1-modules==0.2.8
- pyrsistent==0.15.6
- pytest==5.4.3
- pytorch-lightning==0.8.1
- pyyaml==5.3.1
- pyzmq==18.1.1
- qtconsole==4.6.0
- regex==2019.8.19
- requests==2.22.0
- requests-oauthlib==1.3.0
- rsa==4.0
- sacrebleu==1.4.2
- scikit-bio==0.5.5
- send2trash==1.5.0
- tensorboard==2.2.2
- tensorboard-plugin-wit==1.6.0.post3
- terminado==0.8.3
- testpath==0.4.4
- torch==1.4.0
- typing==3.7.4.1
- urllib3==1.25.7
- webencodings==0.5.1
- werkzeug==1.0.1
- widgetsnbextension==3.5.1

- pydeprecate==0.3.1
- pytest==7.0.1
- pytorch-lightning==1.5.8
- pyyaml==6.0
- requests==2.27.1
- requests-oauthlib==1.3.1
- rsa==4.8
- scikit-learn==1.0.2
- tensorboard==2.8.0
- tensorboard-data-server==0.6.1
- tensorboard-plugin-wit==1.8.1
- threadpoolctl==3.1.0
- tomli==2.0.1
- torch==1.10.2
- torchaudio==0.10.2
- torchmetrics==0.7.2
- torchvision==0.11.3
- tqdm==4.63.0
- typing-extensions==4.1.1
- urllib3==1.26.8
- werkzeug==2.0.3
- yarl==1.7.2
6 changes: 5 additions & 1 deletion deepblast/trainer.py
Original file line number Diff line number Diff line change
Expand Up @@ -25,7 +25,11 @@ class LightningAligner(pl.LightningModule):

def __init__(self, args):
super(LightningAligner, self).__init__()
self._hparams = args
if isinstance(args, dict):
self._hparams = argparse.Namespace(**args)
else:
self._hparams = args

self.tokenizer = UniprotTokenizer(pad_ends=False)
#self.hparams = args
self.initialize_aligner()
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