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environment.yml
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name: jointdiff
channels:
- pytorch
- anaconda
- bioconda
- conda-forge
- defaults
dependencies:
- _libgcc_mutex=0.1=conda_forge
- _openmp_mutex=4.5=2_kmp_llvm
- abnumber=0.3.0=pyhdfd78af_0
- absl-py=1.4.0=pyhd8ed1ab_0
- aiohttp=3.8.4=py38h1de0b5d_0
- aiosignal=1.3.1=pyhd8ed1ab_0
- anarci=2020.04.23=py_3
- aria2=1.36.0=h1e4e653_3
- asttokens=2.0.5=pyhd3eb1b0_0
- async-timeout=4.0.2=pyhd8ed1ab_0
- attrs=22.2.0=pyh71513ae_0
- backcall=0.2.0=pyhd3eb1b0_0
- biopython=1.78=py38h497a2fe_2
- blas=1.0=mkl
- blinker=1.6.2=pyhd8ed1ab_0
- brotlipy=0.7.0=py38h0a891b7_1005
- bzip2=1.0.8=h7f98852_4
- c-ares=1.18.1=h7f98852_0
- ca-certificates=2023.01.10=h06a4308_0
- cachetools=5.3.0=pyhd8ed1ab_0
- certifi=2022.12.7=py38h06a4308_0
- cffi=1.15.1=py38h4a40e3a_3
- charset-normalizer=2.1.1=pyhd8ed1ab_0
- click=8.1.3=py38h578d9bd_1
- colorama=0.4.6=pyhd8ed1ab_0
- comm=0.1.2=py38h06a4308_0
- cryptography=40.0.2=py38h3d167d9_0
- cudatoolkit=11.3.1=h9edb442_11
- debugpy=1.5.1=py38h295c915_0
- decorator=5.1.1=pyhd3eb1b0_0
- easydict=1.9=py_0
- entrypoints=0.4=py38h06a4308_0
- executing=0.8.3=pyhd3eb1b0_0
- ffmpeg=4.3=hf484d3e_0
- freetype=2.12.1=hca18f0e_1
- frozenlist=1.3.3=py38h0a891b7_0
- gawk=5.1.0=h7f98852_0
- gettext=0.21.1=h27087fc_0
- gmp=6.2.1=h58526e2_0
- gnutls=3.6.13=h85f3911_1
- google-auth=2.17.3=pyh1a96a4e_0
- google-auth-oauthlib=1.0.0=pyhd8ed1ab_0
- grpcio=1.54.0=py38h8dc9893_0
- hmmer=3.3.2=h87f3376_2
- icu=72.1=hcb278e6_0
- idna=3.4=pyhd8ed1ab_0
- importlib-metadata=6.5.0=pyha770c72_0
- ipykernel=6.19.2=py38hb070fc8_0
- ipython=8.8.0=py38h06a4308_0
- jedi=0.18.1=py38h06a4308_1
- joblib=1.2.0=pyhd8ed1ab_0
- jpeg=9e=h0b41bf4_3
- jupyter_client=7.4.8=py38h06a4308_0
- jupyter_core=5.1.1=py38h06a4308_0
- lame=3.100=h166bdaf_1003
- lcms2=2.15=hfd0df8a_0
- ld_impl_linux-64=2.40=h41732ed_0
- lerc=4.0.0=h27087fc_0
- libabseil=20230125.0=cxx17_hcb278e6_1
- libdeflate=1.17=h0b41bf4_0
- libffi=3.4.2=h7f98852_5
- libgcc-ng=12.2.0=h65d4601_19
- libgrpc=1.54.0=hcf146ea_0
- libhwloc=2.9.1=hd6dc26d_0
- libiconv=1.17=h166bdaf_0
- libidn2=2.3.4=h166bdaf_0
- libnsl=2.0.0=h7f98852_0
- libpng=1.6.39=h753d276_0
- libprotobuf=3.21.12=h3eb15da_0
- libsodium=1.0.18=h7b6447c_0
- libsqlite=3.40.0=h753d276_0
- libssh2=1.10.0=hf14f497_3
- libstdcxx-ng=12.2.0=h46fd767_19
- libtiff=4.5.0=h6adf6a1_2
- libunistring=0.9.10=h7f98852_0
- libuuid=2.38.1=h0b41bf4_0
- libwebp-base=1.3.0=h0b41bf4_0
- libxcb=1.13=h7f98852_1004
- libxml2=2.10.4=hfdac1af_0
- libzlib=1.2.13=h166bdaf_4
- llvm-openmp=16.0.1=h417c0b6_0
- markdown=3.4.3=pyhd8ed1ab_0
- markupsafe=2.1.2=py38h1de0b5d_0
- matplotlib-inline=0.1.6=py38h06a4308_0
- mkl=2021.4.0=h8d4b97c_729
- mkl-service=2.4.0=py38h95df7f1_0
- mkl_fft=1.3.1=py38h8666266_1
- mkl_random=1.2.2=py38h1abd341_0
- mmseqs2=14.7e284=pl5321hf1761c0_0
- multidict=6.0.4=py38h1de0b5d_0
- ncurses=6.3=h27087fc_1
- nest-asyncio=1.5.6=py38h06a4308_0
- nettle=3.6=he412f7d_0
- numpy=1.23.5=py38h14f4228_0
- numpy-base=1.23.5=py38h31eccc5_0
- oauthlib=3.2.2=pyhd8ed1ab_0
- ocl-icd=2.3.1=h7f98852_0
- ocl-icd-system=1.0.0=1
- openh264=2.1.1=h780b84a_0
- openjpeg=2.5.0=hfec8fc6_2
- openmm=8.0.0=py38he9472fe_0
- openssl=3.1.0=h0b41bf4_0
- packaging=22.0=py38h06a4308_0
- pandas=2.0.0=py38hdc8b05c_0
- parso=0.8.3=pyhd3eb1b0_0
- pdbfixer=1.8.1=pyh6c4a22f_0
- perl=5.32.1=2_h7f98852_perl5
- pexpect=4.8.0=pyhd3eb1b0_3
- pickleshare=0.7.5=pyhd3eb1b0_1003
- pillow=9.4.0=py38hde6dc18_1
- pip=23.1=pyhd8ed1ab_0
- platformdirs=2.5.2=py38h06a4308_0
- prompt-toolkit=3.0.36=py38h06a4308_0
- protobuf=4.21.12=py38h8dc9893_0
- psutil=5.9.0=py38h5eee18b_0
- pthread-stubs=0.4=h36c2ea0_1001
- ptyprocess=0.7.0=pyhd3eb1b0_2
- pure_eval=0.2.2=pyhd3eb1b0_0
- pyasn1=0.4.8=py_0
- pyasn1-modules=0.2.7=py_0
- pycparser=2.21=pyhd8ed1ab_0
- pygments=2.11.2=pyhd3eb1b0_0
- pyjwt=2.6.0=pyhd8ed1ab_0
- pyopenssl=23.1.1=pyhd8ed1ab_0
- pysocks=1.7.1=py38h578d9bd_5
- python=3.8.16=he550d4f_1_cpython
- python-dateutil=2.8.2=pyhd8ed1ab_0
- python-lmdb=1.4.1=py38h8dc9893_0
- python-tzdata=2023.3=pyhd8ed1ab_0
- python_abi=3.8=3_cp38
- pytorch=1.12.1=py3.8_cuda11.3_cudnn8.3.2_0
- pytorch-mutex=1.0=cuda
- pytz=2023.3=pyhd8ed1ab_0
- pyu2f=0.1.5=pyhd8ed1ab_0
- pyyaml=6.0=py38h0a891b7_5
- pyzmq=23.2.0=py38h6a678d5_0
- re2=2023.02.02=hcb278e6_0
- readline=8.2=h8228510_1
- requests=2.28.2=pyhd8ed1ab_1
- requests-oauthlib=1.3.1=pyhd8ed1ab_0
- rsa=4.9=pyhd8ed1ab_0
- setuptools=67.6.1=pyhd8ed1ab_0
- six=1.16.0=pyh6c4a22f_0
- stack_data=0.2.0=pyhd3eb1b0_0
- tbb=2021.9.0=hf52228f_0
- tensorboard=2.12.2=pyhd8ed1ab_0
- tensorboard-data-server=0.7.0=py38h3d167d9_0
- tensorboard-plugin-wit=1.8.1=pyhd8ed1ab_0
- tk=8.6.12=h27826a3_0
- torchvision=0.13.1=py38_cu113
- tornado=6.2=py38h5eee18b_0
- tqdm=4.65.0=pyhd8ed1ab_1
- traitlets=5.7.1=py38h06a4308_0
- typing-extensions=4.5.0=hd8ed1ab_0
- typing_extensions=4.5.0=pyha770c72_0
- urllib3=1.26.15=pyhd8ed1ab_0
- wcwidth=0.2.5=pyhd3eb1b0_0
- werkzeug=2.2.3=pyhd8ed1ab_0
- wget=1.20.3=ha35d2d1_1
- wheel=0.40.0=pyhd8ed1ab_0
- xorg-libxau=1.0.9=h7f98852_0
- xorg-libxdmcp=1.1.3=h7f98852_0
- xz=5.2.6=h166bdaf_0
- yaml=0.2.5=h7f98852_2
- yarl=1.8.2=py38h0a891b7_0
- zeromq=4.3.4=h2531618_0
- zipp=3.15.0=pyhd8ed1ab_0
- zlib=1.2.13=h166bdaf_4
- zstd=1.5.2=h3eb15da_6
- pip:
- anyio==3.6.2
- contextlib2==21.6.0
- contourpy==1.1.1
- cycler==0.12.1
- foldcomp==0.0.5
- fonttools==4.54.1
- h11==0.14.0
- httpcore==0.17.0
- httpx==0.24.0
- importlib-resources==6.4.5
- kiwisolver==1.4.7
- matplotlib==3.7.5
- ml-collections==0.1.1
- pyparsing==3.1.4
- scikit-learn==1.3.2
- scipy==1.10.1
- seaborn==0.13.2
- sequence-models==1.8.0
- sniffio==1.3.0
- svgwrite==1.4.3
- threadpoolctl==3.5.0
- tree==0.2.4
prefix: /scratch/user/shaowen1994/.conda/envs/jointdiff