catalyst_mxenes / catalyst_env.yml
anonymous
added env yml file, updated readme
1c94d90
name: catalyst
channels:
- conda-forge
- nvidia
- pyg
- pytorch
dependencies:
- _openmp_mutex=4.5
- absl-py=2.3.1
- aiohappyeyeballs=2.6.1
- aiohttp=3.12.15
- aiosignal=1.4.0
- alsa-lib=1.2.14
- aom=3.9.1
- async-timeout=5.0.1
- attr=2.5.2
- attrs=25.3.0
- blas=2.116
- blas-devel=3.9.0
- brotli=1.1.0
- brotli-bin=1.1.0
- brotli-python=1.1.0
- bzip2=1.0.8
- c-ares=1.34.5
- ca-certificates=2025.8.3
- cached-property=1.5.2
- cached_property=1.5.2
- cairo=1.18.4
- certifi=2025.8.3
- cffi=2.0.0
- charset-normalizer=3.4.3
- colorama=0.4.6
- contourpy=1.3.2
- cpython=3.10.18
- cuda-cudart=12.1.105
- cuda-cupti=12.1.105
- cuda-libraries=12.1.0
- cuda-nvrtc=12.1.105
- cuda-nvtx=12.1.105
- cuda-opencl=12.9.19
- cuda-runtime=12.1.0
- cuda-version=12.9
- cycler=0.12.1
- cyrus-sasl=2.1.28
- dav1d=1.2.1
- dbus=1.16.2
- double-conversion=3.3.1
- ffmpeg=8.0.0
- filelock=3.19.1
- font-ttf-dejavu-sans-mono=2.37
- font-ttf-inconsolata=3.000
- font-ttf-source-code-pro=2.038
- font-ttf-ubuntu=0.83
- fontconfig=2.15.0
- fonts-conda-ecosystem=1
- fonts-conda-forge=1
- fonttools=4.60.0
- freetype=2.14.1
- fribidi=1.0.16
- frozenlist=1.7.0
- fsspec=2025.9.0
- gdk-pixbuf=2.44.2
- gettext=0.25.1
- gettext-tools=0.25.1
- glslang=16.0.0
- gmp=6.3.0
- gmpy2=2.2.1
- graphite2=1.3.14
- grpcio=1.74.1
- h2=4.3.0
- h5py=3.14.0
- harfbuzz=11.5.1
- hdf5=1.14.6
- hpack=4.1.0
- hyperframe=6.1.0
- icu=75.1
- idna=3.10
- importlib-metadata=8.7.0
- intel-gmmlib=22.8.2
- intel-media-driver=25.3.4
- jinja2=3.1.6
- joblib=1.5.2
- keyutils=1.6.3
- kiwisolver=1.4.9
- krb5=1.21.3
- lame=3.100
- lcms2=2.17
- ld_impl_linux-64=2.44
- lerc=4.0.0
- level-zero=1.24.3
- libabseil=20250512.1
- libaec=1.1.4
- libasprintf=0.25.1
- libasprintf-devel=0.25.1
- libass=0.17.4
- libblas=3.9.0
- libbrotlicommon=1.1.0
- libbrotlidec=1.1.0
- libbrotlienc=1.1.0
- libcap=2.76
- libcblas=3.9.0
- libclang-cpp21.1=21.1.2
- libclang13=21.1.2
- libcublas=12.1.0.26
- libcufft=11.0.2.4
- libcufile=1.14.1.1
- libcups=2.3.3
- libcurand=10.3.10.19
- libcurl=8.14.1
- libcusolver=11.4.4.55
- libcusparse=12.0.2.55
- libdeflate=1.24
- libdrm=2.4.125
- libedit=3.1.20250104
- libegl=1.7.0
- libev=4.33
- libexpat=2.7.1
- libffi=3.4.6
- libflac=1.4.3
- libfreetype=2.14.1
- libfreetype6=2.14.1
- libgcc=15.1.0
- libgcc-ng=15.1.0
- libgcrypt-lib=1.11.1
- libgettextpo=0.25.1
- libgettextpo-devel=0.25.1
- libgfortran=15.1.0
- libgfortran-ng=15.1.0
- libgfortran5=15.1.0
- libgl=1.7.0
- libglib=2.86.0
- libglvnd=1.7.0
- libglx=1.7.0
- libgpg-error=1.55
- libgrpc=1.74.1
- libhwloc=2.12.1
- libiconv=1.18
- libjpeg-turbo=3.1.0
- liblapack=3.9.0
- liblapacke=3.9.0
- libllvm21=21.1.2
- liblzma=5.8.1
- libnghttp2=1.67.0
- libnpp=12.0.2.50
- libnsl=2.0.1
- libntlm=1.8
- libnvjitlink=12.1.105
- libnvjpeg=12.1.1.14
- libogg=1.3.5
- libopengl=1.7.0
- libopenvino=2025.2.0
- libopenvino-auto-batch-plugin=2025.2.0
- libopenvino-auto-plugin=2025.2.0
- libopenvino-hetero-plugin=2025.2.0
- libopenvino-intel-cpu-plugin=2025.2.0
- libopenvino-intel-gpu-plugin=2025.2.0
- libopenvino-intel-npu-plugin=2025.2.0
- libopenvino-ir-frontend=2025.2.0
- libopenvino-onnx-frontend=2025.2.0
- libopenvino-paddle-frontend=2025.2.0
- libopenvino-pytorch-frontend=2025.2.0
- libopenvino-tensorflow-frontend=2025.2.0
- libopenvino-tensorflow-lite-frontend=2025.2.0
- libopus=1.5.2
- libpciaccess=0.18
- libpng=1.6.50
- libpq=18.0
- libprotobuf=6.31.1
- libre2-11=2025.08.12
- librsvg=2.58.4
- libsndfile=1.2.2
- libsqlite=3.50.4
- libssh2=1.11.1
- libstdcxx=15.1.0
- libstdcxx-ng=15.1.0
- libsystemd0=257.9
- libtiff=4.7.1
- libudev1=257.9
- libunwind=1.8.3
- liburing=2.12
- libusb=1.0.29
- libuuid=2.41.2
- libva=2.22.0
- libvorbis=1.3.7
- libvpl=2.15.0
- libvpx=1.14.1
- libvulkan-loader=1.4.313.0
- libwebp-base=1.6.0
- libxcb=1.17.0
- libxcrypt=4.4.36
- libxkbcommon=1.11.0
- libxml2=2.15.0
- libxml2-16=2.15.0
- libxslt=1.1.43
- libzlib=1.3.1
- lightning-utilities=0.15.2
- llvm-openmp=15.0.7
- lz4-c=1.10.0
- markdown=3.9
- markupsafe=3.0.2
- matplotlib=3.10.6
- matplotlib-base=3.10.6
- mkl=2022.1.0
- mkl-devel=2022.1.0
- mkl-include=2022.1.0
- mpc=1.3.1
- mpfr=4.2.1
- mpg123=1.32.9
- mpmath=1.3.0
- multidict=6.6.3
- munkres=1.1.4
- ncurses=6.5
- networkx=3.4.2
- numpy=2.2.6
- ocl-icd=2.3.3
- opencl-headers=2025.06.13
- openh264=2.6.0
- openjpeg=2.5.4
- openldap=2.6.10
- openssl=3.5.3
- packaging=25.0
- pandas=2.3.2
- pango=1.56.4
- pcre2=10.46
- pillow=11.3.0
- pip=25.2
- pixman=0.46.4
- propcache=0.3.1
- protobuf=6.31.1
- psutil=7.1.0
- pthread-stubs=0.4
- pugixml=1.15
- pulseaudio-client=17.0
- pycparser=2.22
- pyg=2.6.1
- pyparsing=3.2.5
- pyside6=6.9.2
- pysocks=1.7.1
- python=3.10.18
- python-dateutil=2.9.0.post0
- python-tzdata=2025.2
- python_abi=3.10
- pytorch=2.4.0
- pytorch-cluster=1.6.3
- pytorch-cuda=12.1
- pytorch-lightning=2.5.0.post0
- pytorch-mutex=1.0
- pytorch-scatter=2.1.2
- pytorch-sparse=0.6.18
- pytorch-spline-conv=1.2.2
- pytz=2025.2
- pyyaml=6.0.3
- qhull=2020.2
- qt6-main=6.9.2
- re2=2025.08.12
- readline=8.2
- requests=2.32.5
- scikit-learn=1.7.2
- scipy=1.15.2
- sdl2=2.32.56
- sdl3=3.2.22
- setuptools=80.9.0
- shaderc=2025.4
- six=1.17.0
- snappy=1.2.2
- spirv-tools=2025.1
- svt-av1=3.1.2
- sympy=1.14.0
- tbb=2021.13.0
- tensorboard=2.20.0
- tensorboard-data-server=0.7.0
- threadpoolctl=3.6.0
- tk=8.6.13
- torchaudio=2.4.0
- torchmetrics=1.8.2
- torchtriton=3.0.0
- torchvision=0.19.0
- tornado=6.5.2
- tqdm=4.67.1
- typing-extensions=4.15.0
- typing_extensions=4.15.0
- tzdata=2025b
- unicodedata2=16.0.0
- urllib3=2.5.0
- wayland=1.24.0
- wayland-protocols=1.45
- werkzeug=3.1.3
- wheel=0.45.1
- x264=1!164.3095
- x265=3.5
- xcb-util=0.4.1
- xcb-util-cursor=0.1.5
- xcb-util-image=0.4.0
- xcb-util-keysyms=0.4.1
- xcb-util-renderutil=0.3.10
- xcb-util-wm=0.4.2
- xkeyboard-config=2.45
- xorg-libice=1.1.2
- xorg-libsm=1.2.6
- xorg-libx11=1.8.12
- xorg-libxau=1.0.12
- xorg-libxcomposite=0.4.6
- xorg-libxcursor=1.2.3
- xorg-libxdamage=1.1.6
- xorg-libxdmcp=1.1.5
- xorg-libxext=1.3.6
- xorg-libxfixes=6.0.1
- xorg-libxi=1.8.2
- xorg-libxrandr=1.5.4
- xorg-libxrender=0.9.12
- xorg-libxscrnsaver=1.2.4
- xorg-libxtst=1.2.5
- xorg-libxxf86vm=1.1.6
- yaml=0.2.5
- yarl=1.20.1
- zipp=3.23.0
- zstandard=0.25.0
- zstd=1.5.7
- pip:
- e3nn==0.4.4
- lmbd==0.1.1
- lmdb==2.2.0
- matscipy==1.2.0
- metatomic==0.1.0
- orjson==3.11.9
- prettytable==3.17.0
- pymatgen==2025.10.7
- torch-ema==0.3
- upet==0.1.2
- wandb==0.27.0
prefix: "/home/anmka58/miniconda3/envs/catalyst"