github-mirrors/RoseTTAFold-All-Atom
1
0
Fork 0
mirror of https://github.com/baker-laboratory/RoseTTAFold-All-Atom.git synced 2024-11-24 22:37:20 +00:00
Code Issues Projects Releases Packages Wiki Activity Actions

Create environment.yaml

Browse source
This commit is contained in:
Alex Morehead 2024-03-09 20:07:15 -06:00 committed by GitHub
parent 001226a0af
commit be632e2d9e
No known key found for this signature in database
GPG key ID: B5690EEEBB952194
1 changed files with 254 additions and 0 deletions
Show stats Download patch file Download diff file Expand all files Collapse all files

254
environment.yaml Normal file
View file

@ -0,0 +1,254 @@
name: RFAA
channels:
- pyg
- bioconda
- pytorch
- nvidia
- conda-forge
dependencies:
- _libgcc_mutex=0.1=conda_forge
- _openmp_mutex=4.5=2_kmp_llvm
- absl-py=2.1.0=pyhd8ed1ab_0
- aiohttp=3.9.3=py310h2372a71_0
- aiosignal=1.3.1=pyhd8ed1ab_0
- asttokens=2.4.1=pyhd8ed1ab_0
- astunparse=1.6.3=pyhd8ed1ab_0
- async-timeout=4.0.3=pyhd8ed1ab_0
- attrs=23.2.0=pyh71513ae_0
- blas=2.121=mkl
- blas-devel=3.9.0=21_linux64_mkl
- blinker=1.7.0=pyhd8ed1ab_0
- brotli-python=1.1.0=py310hc6cd4ac_1
- bzip2=1.0.8=hd590300_5
- c-ares=1.27.0=hd590300_0
- ca-certificates=2024.2.2=hbcca054_0
- cached-property=1.5.2=hd8ed1ab_1
- cached_property=1.5.2=pyha770c72_1
- cachetools=5.3.3=pyhd8ed1ab_0
- cairo=1.16.0=ha61ee94_1014
- certifi=2024.2.2=pyhd8ed1ab_0
- cffi=1.16.0=py310h2fee648_0
- charset-normalizer=3.3.2=pyhd8ed1ab_0
- click=8.1.7=unix_pyh707e725_0
- colorama=0.4.6=pyhd8ed1ab_0
- cryptography=42.0.5=py310h75e40e8_0
- cuda-cudart=11.8.89=0
- cuda-cupti=11.8.87=0
- cuda-libraries=11.8.0=0
- cuda-nvrtc=11.8.89=0
- cuda-nvtx=11.8.86=0
- cuda-runtime=11.8.0=0
- cuda-version=11.8=h70ddcb2_3
- cudatoolkit=11.8.0=h4ba93d1_13
- cudnn=8.8.0.121=hcdd5f01_4
- deepdiff=6.7.1=pyhd8ed1ab_0
- dgl=1.1.2=cuda112py310hc641c19_2
- executing=2.0.1=pyhd8ed1ab_0
- expat=2.6.1=h59595ed_0
- ffmpeg=4.3=hf484d3e_0
- filelock=3.13.1=pyhd8ed1ab_0
- flatbuffers=22.12.06=hcb278e6_2
- 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=h77eed37_1
- fontconfig=2.14.2=h14ed4e7_0
- fonts-conda-ecosystem=1=0
- fonts-conda-forge=1=0
- freetype=2.12.1=h267a509_2
- frozenlist=1.4.1=py310h2372a71_0
- fsspec=2024.2.0=pyhca7485f_0
- gast=0.4.0=pyh9f0ad1d_0
- gettext=0.21.1=h27087fc_0
- giflib=5.2.1=h0b41bf4_3
- gmp=6.3.0=h59595ed_0
- gmpy2=2.1.2=py310h3ec546c_1
- gnutls=3.6.13=h85f3911_1
- google-auth=2.28.2=pyhca7485f_0
- google-auth-oauthlib=0.4.6=pyhd8ed1ab_0
- google-pasta=0.2.0=pyh8c360ce_0
- grpcio=1.51.1=py310h4a5735c_1
- h5py=3.10.0=nompi_py310h65828d5_101
- hdf5=1.14.3=nompi_h4f84152_100
- hhsuite=3.3.0=py310pl5321h068649b_10
- icecream=2.1.3=pyhd8ed1ab_0
- icu=70.1=h27087fc_0
- idna=3.6=pyhd8ed1ab_0
- importlib-metadata=7.0.2=pyha770c72_0
- jinja2=3.1.3=pyhd8ed1ab_0
- joblib=1.3.2=pyhd8ed1ab_0
- jpeg=9e=h0b41bf4_3
- keras=2.11.0=pyhd8ed1ab_0
- keras-preprocessing=1.1.2=pyhd8ed1ab_0
- keyutils=1.6.1=h166bdaf_0
- krb5=1.21.2=h659d440_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=20220623.0=cxx17_h05df665_6
- libaec=1.1.2=h59595ed_1
- libblas=3.9.0=21_linux64_mkl
- libcblas=3.9.0=21_linux64_mkl
- libcublas=11.11.3.6=0
- libcufft=10.9.0.58=0
- libcufile=1.9.0.20=0
- libcurand=10.3.5.119=0
- libcurl=8.5.0=hca28451_0
- libcusolver=11.4.1.48=0
- libcusparse=11.7.5.86=0
- libdeflate=1.17=h0b41bf4_0
- libedit=3.1.20191231=he28a2e2_2
- libev=4.33=hd590300_2
- libexpat=2.6.1=h59595ed_0
- libffi=3.4.2=h7f98852_5
- libgcc-ng=13.2.0=h807b86a_5
- libgfortran-ng=13.2.0=h69a702a_5
- libgfortran5=13.2.0=ha4646dd_5
- libglib=2.78.4=hf2295e7_4
- libgomp=13.2.0=h807b86a_5
- libgrpc=1.51.1=h4fad500_1
- libhwloc=2.9.1=hd6dc26d_0
- libiconv=1.17=hd590300_2
- liblapack=3.9.0=21_linux64_mkl
- liblapacke=3.9.0=21_linux64_mkl
- libnghttp2=1.58.0=h47da74e_1
- libnpp=11.8.0.86=0
- libnsl=2.0.1=hd590300_0
- libnvjpeg=11.9.0.86=0
- libpng=1.6.43=h2797004_0
- libprotobuf=3.21.12=hfc55251_2
- libsqlite=3.45.1=h2797004_0
- libssh2=1.11.0=h0841786_0
- libstdcxx-ng=13.2.0=h7e041cc_5
- libtiff=4.5.0=h6adf6a1_2
- libuuid=2.38.1=h0b41bf4_0
- libuv=1.48.0=hd590300_0
- libwebp-base=1.3.2=hd590300_0
- libxcb=1.13=h7f98852_1004
- libxcrypt=4.4.36=hd590300_1
- libxml2=2.10.3=hca2bb57_4
- libzlib=1.2.13=hd590300_5
- llvm-openmp=17.0.6=h4dfa4b3_0
- markdown=3.5.2=pyhd8ed1ab_0
- markupsafe=2.1.5=py310h2372a71_0
- metis=5.1.1=h59595ed_2
- mkl=2024.0.0=ha957f24_49657
- mkl-devel=2024.0.0=ha770c72_49657
- mkl-include=2024.0.0=ha957f24_49657
- mpc=1.3.1=hfe3b2da_0
- mpfr=4.2.1=h9458935_0
- mpmath=1.3.0=pyhd8ed1ab_0
- multidict=6.0.5=py310h2372a71_0
- nccl=2.20.5.1=h6103f9b_0
- ncurses=6.4=h59595ed_2
- nettle=3.6=he412f7d_0
- networkx=3.2.1=pyhd8ed1ab_0
- numpy=1.26.4=py310hb13e2d6_0
- oauthlib=3.2.2=pyhd8ed1ab_0
- openbabel=3.1.1=py310heaf86c6_5
- openh264=2.1.1=h780b84a_0
- openjpeg=2.5.0=hfec8fc6_2
- openssl=3.2.1=hd590300_0
- opt_einsum=3.3.0=pyhc1e730c_2
- ordered-set=4.1.0=pyhd8ed1ab_0
- orjson=3.9.15=py310hcb5633a_0
- packaging=23.2=pyhd8ed1ab_0
- pandas=2.2.1=py310hcc13569_0
- pcre2=10.43=hcad00b1_0
- perl=5.32.1=7_hd590300_perl5
- pillow=9.4.0=py310h023d228_1
- pip=24.0=pyhd8ed1ab_0
- pixman=0.43.2=h59595ed_0
- protobuf=4.21.12=py310heca2aa9_0
- psutil=5.9.8=py310h2372a71_0
- pthread-stubs=0.4=h36c2ea0_1001
- pyasn1=0.5.1=pyhd8ed1ab_0
- pyasn1-modules=0.3.0=pyhd8ed1ab_0
- pycparser=2.21=pyhd8ed1ab_0
- pyg=2.5.0=py310_torch_2.0.0_cu118
- pygments=2.17.2=pyhd8ed1ab_0
- pyjwt=2.8.0=pyhd8ed1ab_1
- pyopenssl=24.0.0=pyhd8ed1ab_0
- pyparsing=3.1.2=pyhd8ed1ab_0
- pysocks=1.7.1=pyha2e5f31_6
- python=3.10.13=hd12c33a_1_cpython
- python-dateutil=2.9.0=pyhd8ed1ab_0
- python-flatbuffers=24.3.6=pyh59ac667_0
- python-tzdata=2024.1=pyhd8ed1ab_0
- python_abi=3.10=4_cp310
- pytorch=2.0.1=py3.10_cuda11.8_cudnn8.7.0_0
- pytorch-cuda=11.8=h7e8668a_5
- pytorch-mutex=1.0=cuda
- pytz=2024.1=pyhd8ed1ab_0
- pyu2f=0.1.5=pyhd8ed1ab_0
- re2=2023.02.01=hcb278e6_0
- readline=8.2=h8228510_1
- requests=2.31.0=pyhd8ed1ab_0
- requests-oauthlib=1.3.1=pyhd8ed1ab_0
- rsa=4.9=pyhd8ed1ab_0
- scikit-learn=1.4.1.post1=py310h1fdf081_0
- scipy=1.12.0=py310hb13e2d6_2
- setuptools=69.1.1=pyhd8ed1ab_0
- six=1.16.0=pyh6c4a22f_0
- snappy=1.1.10=h9fff704_0
- sympy=1.12=pypyh9d50eac_103
- tbb=2021.9.0=hf52228f_0
- tensorboard=2.11.2=pyhd8ed1ab_0
- tensorboard-data-server=0.6.1=py310h600f1e7_4
- tensorboard-plugin-wit=1.8.1=pyhd8ed1ab_0
- tensorflow=2.11.0=cuda112py310he87a039_0
- tensorflow-base=2.11.0=cuda112py310h52da4a5_0
- tensorflow-estimator=2.11.0=cuda112py310h37add04_0
- termcolor=2.4.0=pyhd8ed1ab_0
- threadpoolctl=3.3.0=pyhc1e730c_0
- tk=8.6.13=noxft_h4845f30_101
- torchaudio=2.0.2=py310_cu118
- torchtriton=2.0.0=py310
- torchvision=0.15.2=py310_cu118
- tqdm=4.66.2=pyhd8ed1ab_0
- typing-extensions=4.10.0=hd8ed1ab_0
- typing_extensions=4.10.0=pyha770c72_0
- tzdata=2024a=h0c530f3_0
- urllib3=2.2.1=pyhd8ed1ab_0
- werkzeug=3.0.1=pyhd8ed1ab_0
- wheel=0.42.0=pyhd8ed1ab_0
- wrapt=1.16.0=py310h2372a71_0
- xorg-kbproto=1.0.7=h7f98852_1002
- xorg-libice=1.1.1=hd590300_0
- xorg-libsm=1.2.4=h7391055_0
- xorg-libx11=1.8.4=h0b41bf4_0
- xorg-libxau=1.0.11=hd590300_0
- xorg-libxdmcp=1.1.3=h7f98852_0
- xorg-libxext=1.3.4=h0b41bf4_2
- xorg-libxrender=0.9.10=h7f98852_1003
- xorg-renderproto=0.11.1=h7f98852_1002
- xorg-xextproto=7.3.0=h0b41bf4_1003
- xorg-xproto=7.0.31=h7f98852_1007
- xz=5.2.6=h166bdaf_0
- yarl=1.9.4=py310h2372a71_0
- zipp=3.17.0=pyhd8ed1ab_0
- zlib=1.2.13=hd590300_5
- zstd=1.5.5=hfc55251_0
- pip:
- antlr4-python3-runtime==4.9.3
- assertpy==1.1
- configparser==6.0.1
- dllogger==1.0.0
- docker-pycreds==0.4.0
- e3nn==0.3.3
- gitdb==4.0.11
- gitpython==3.1.42
- hydra-core==1.3.2
- omegaconf==2.3.0
- opt-einsum-fx==0.1.4
- pathtools==0.1.2
- promise==2.3
- pynvml==11.0.0
- pyrsistent==0.20.0
- pyyaml==6.0.1
- sentry-sdk==1.41.0
- shortuuid==1.0.12
- smmap==5.0.1
- subprocess32==3.5.4
- wandb==0.12.0