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environment.yml
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environment.yml
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name: atomgpt
channels:
- xformers
- pytorch
- nvidia
- conda-forge
- defaults
dependencies:
- _libgcc_mutex=0.1=conda_forge
- _openmp_mutex=4.5=2_gnu
- blas=1.0=mkl
- bzip2=1.0.8=h7f98852_4
- ca-certificates=2024.2.2=hbcca054_0
- cairo=1.18.0=h3faef2a_0
- cffi=1.16.0=py39h7a31438_0
- cuda-cudart=12.1.105=0
- cuda-cupti=12.1.105=0
- cuda-libraries=12.1.0=0
- cuda-nvrtc=12.1.105=0
- cuda-nvtx=12.1.105=0
- cuda-opencl=12.4.99=0
- cuda-runtime=12.1.0=0
- cudatoolkit=11.7.0=hd8887f6_10
- expat=2.5.0=hcb278e6_1
- filelock=3.15.4=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=2.14.2=h14ed4e7_0
- fonts-conda-ecosystem=1=0
- fonts-conda-forge=1=0
- freetype=2.12.1=h267a509_2
- gettext=0.21.1=h27087fc_0
- gmp=6.3.0=h59595ed_1
- gmpy2=2.1.2=py39h376b7d2_1
- icu=73.2=h59595ed_0
- intel-openmp=2022.1.0=h9e868ea_3769
- jinja2=3.1.4=pyhd8ed1ab_0
- ld_impl_linux-64=2.40=h41732ed_0
- libblas=3.9.0=16_linux64_mkl
- libcblas=3.9.0=16_linux64_mkl
- libcublas=12.1.0.26=0
- libcufft=11.0.2.4=0
- libcufile=1.9.0.20=0
- libcurand=10.3.5.119=0
- libcusolver=11.4.4.55=0
- libcusparse=12.0.2.55=0
- libexpat=2.5.0=hcb278e6_1
- libffi=3.4.2=h7f98852_5
- libgcc-ng=13.2.0=h807b86a_2
- libgfortran-ng=13.2.0=h69a702a_5
- libgfortran5=13.2.0=ha4646dd_5
- libglib=2.78.0=hebfc3b9_0
- libgomp=13.2.0=h807b86a_2
- libiconv=1.17=h166bdaf_0
- liblapack=3.9.0=16_linux64_mkl
- libnpp=12.0.2.50=0
- libnsl=2.0.0=h7f98852_0
- libnvjitlink=12.1.105=0
- libnvjpeg=12.1.1.14=0
- libopenblas=0.3.26=pthreads_h413a1c8_0
- libpng=1.6.39=h753d276_0
- libprotobuf=3.21.12=hfc55251_2
- libsqlite=3.43.0=h2797004_0
- libstdcxx-ng=13.2.0=h7e041cc_2
- libuuid=2.38.1=h0b41bf4_0
- libxcb=1.15=h0b41bf4_0
- libxml2=2.11.5=h232c23b_1
- libzlib=1.2.13=hd590300_5
- llvm-openmp=15.0.7=h0cdce71_0
- markupsafe=2.1.5=py39hd1e30aa_0
- mkl=2022.1.0=hc2b9512_224
- mpc=1.3.1=hfe3b2da_0
- mpfr=4.2.1=h9458935_0
- mpmath=1.3.0=pyhd8ed1ab_0
- ncurses=6.4=hcb278e6_0
- networkx=3.2.1=pyhd8ed1ab_0
- ninja=1.11.1=h924138e_0
- openbabel=3.1.1=py39h421517d_8
- openssl=3.2.1=hd590300_1
- pcre2=10.40=hc3806b6_0
- pip=23.2.1=pyhd8ed1ab_0
- pixman=0.42.2=h59595ed_0
- pthread-stubs=0.4=h36c2ea0_1001
- pycparser=2.22=pyhd8ed1ab_0
- python=3.9.18=h0755675_0_cpython
- python_abi=3.9=4_cp39
- pytorch=2.2.2=py3.9_cuda12.1_cudnn8.9.2_0
- pytorch-cuda=12.1=ha16c6d3_5
- pytorch-mutex=1.0=cuda
- pyyaml=6.0.1=py39hd1e30aa_1
- readline=8.2=h8228510_1
- setuptools=68.2.2=pyhd8ed1ab_0
- sleef=3.5.1=h9b69904_2
- sympy=1.12=pypyh9d50eac_103
- tk=8.6.13=h2797004_0
- torchtriton=2.2.0=py39
- typing_extensions=4.10.0=pyha770c72_0
- wheel=0.43.0=pyhd8ed1ab_1
- xformers=0.0.25.post1=py39_cu12.1.0_pyt2.2.2
- xorg-kbproto=1.0.7=h7f98852_1002
- xorg-libice=1.1.1=hd590300_0
- xorg-libsm=1.2.4=h7391055_0
- xorg-libx11=1.8.7=h8ee46fc_0
- xorg-libxau=1.0.11=hd590300_0
- xorg-libxdmcp=1.1.3=h7f98852_0
- xorg-libxext=1.3.4=h0b41bf4_2
- xorg-libxrender=0.9.11=hd590300_0
- 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
- yaml=0.2.5=h7f98852_2
- zlib=1.2.13=hd590300_5
- pip:
- accelerate==0.31.0
- aiohttp==3.9.5
- aiosignal==1.3.1
- alignn==2024.4.20
- annotated-types==0.7.0
- ase==3.23.0
- async-timeout==4.0.3
- attrs==23.2.0
- bitsandbytes==0.43.1
- certifi==2024.6.2
- chardet==3.0.4
- charset-normalizer==3.3.2
- contourpy==1.2.1
- cycler==0.12.1
- datasets==2.20.0
- dgl==1.1.1
- dill==0.3.8
- docstring-parser==0.16
- eval-type-backport==0.2.0
- flake8==7.1.0
- fonttools==4.53.0
- frozenlist==1.4.1
- fsspec==2024.5.0
- huggingface-hub==0.23.4
- idna==3.7
- importlib-resources==6.4.0
- jarvis-tools==2024.4.30
- joblib==1.4.2
- kiwisolver==1.4.5
- lmdb==1.4.1
- markdown-it-py==3.0.0
- matplotlib==3.9.0
- mccabe==0.7.0
- mdurl==0.1.2
- multidict==4.7.6
- multiprocess==0.70.16
- numpy==1.26.4
- packaging==24.1
- pandas==2.2.2
- peft==0.11.1
- pillow==10.3.0
- psutil==6.0.0
- pyarrow==16.1.0
- pyarrow-hotfix==0.6
- pycodestyle==2.12.0
- pydantic==2.7.4
- pydantic-core==2.18.4
- pydantic-settings==2.3.3
- pydocstyle==6.3.0
- pyflakes==3.2.0
- pygments==2.18.0
- pyparsing==2.4.7
- python-dateutil==2.9.0.post0
- python-dotenv==1.0.1
- pytz==2024.1
- regex==2024.5.15
- requests==2.32.3
- rich==13.7.1
- safetensors==0.4.3
- scikit-learn==1.5.0
- scipy==1.13.1
- shtab==1.7.1
- six==1.16.0
- snowballstemmer==2.2.0
- spglib==2.4.0
- threadpoolctl==3.5.0
- tokenizers==0.19.1
- toolz==0.12.1
- torchdata==0.7.1
- tqdm==4.66.4
- transformers==4.41.2
- trl==0.8.6
- tyro==0.8.4
- tzdata==2024.1
- urllib3==2.2.2
- xmltodict==0.13.0
- xxhash==3.4.1
- yarl==1.9.4
- zipp==3.19.2
prefix: atomgpt