添加钙钛矿太阳能电池模型requirements依赖文件

Author: ZcwDev

examples/perovskite_solar_cells/conf/psc_nn.yaml

@@ -23,7 +23,7 @@ hydra:
 
 mode: "train"
 seed: 42
-output_dir: "./output"
+output_dir: ${hydra:run.dir}
 
 data:
   train_features_path: "./data/cleaned/training.csv"
@@ -49,8 +49,8 @@ TRAIN:
   lr_scheduler:
     gamma: 0.95
     decay_steps: 5
-  warmup_epoch: 2
-  warmup_start_lr: 1.0e-6
+    warmup_epoch: 2
+    warmup_start_lr: 1.0e-6
 
 eval:
   batch_size: 64

examples/perovskite_solar_cells/requirements.txt

@@ -0,0 +1,227 @@
+# This file may be used to create an environment using:
+# $ conda create --name <env> --file <this file>
+# platform: linux-64
+# created-by: conda 24.9.2
+_libgcc_mutex=0.1=conda_forge
+_openmp_mutex=4.5=2_gnu
+addict=2.4.0=pypi_0
+alembic=1.14.0=pypi_0
+annotated-types=0.7.0=pypi_0
+antlr4-python3-runtime=4.9.3=pypi_0
+anyio=4.6.2.post1=pyhd8ed1ab_0
+astor=0.8.1=pyh9f0ad1d_0
+asttokens=2.4.1=pypi_0
+attrs=24.2.0=pypi_0
+babel=2.16.0=pypi_0
+blinker=1.9.0=pypi_0
+bracex=2.5.post1=pypi_0
+bzip2=1.0.8=h4bc722e_7
+ca-certificates=2024.8.30=hbcca054_0
+certifi=2024.8.30=pyhd8ed1ab_0
+cfgv=3.4.0=pypi_0
+charset-normalizer=3.4.0=pypi_0
+click=8.1.7=pypi_0
+colorama=0.4.6=pypi_0
+colorlog=6.9.0=pypi_0
+comm=0.2.2=pypi_0
+configargparse=1.7=pypi_0
+contourpy=1.3.0=pypi_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=12.6=3
+cudnn=8.9.7.29=h092f7fd_3
+cycler=0.12.1=pypi_0
+dash=2.18.2=pypi_0
+dash-core-components=2.0.0=pypi_0
+dash-html-components=2.0.0=pypi_0
+dash-table=5.0.0=pypi_0
+decorator=5.1.1=pyhd8ed1ab_0
+distlib=0.3.9=pypi_0
+einops=0.8.0=pypi_0
+exceptiongroup=1.2.2=pyhd8ed1ab_0
+executing=2.1.0=pypi_0
+fastjsonschema=2.20.0=pypi_0
+filelock=3.16.1=pypi_0
+flask=3.0.3=pypi_0
+fonttools=4.55.0=pypi_0
+freetype=2.12.1=h267a509_2
+ghp-import=2.1.0=pypi_0
+gitdb=4.0.11=pypi_0
+gitpython=3.1.43=pypi_0
+greenlet=3.1.1=pypi_0
+griffe=1.5.1=pypi_0
+h11=0.14.0=pyhd8ed1ab_0
+h2=4.1.0=pyhd8ed1ab_0
+h5py=3.12.1=pypi_0
+hpack=4.0.0=pyh9f0ad1d_0
+httpcore=1.0.7=pyh29332c3_1
+httpx=0.27.2=pyhd8ed1ab_0
+hydra-core=1.3.2=pypi_0
+hyperframe=6.0.1=pyhd8ed1ab_0
+identify=2.6.2=pypi_0
+idna=3.10=pyhd8ed1ab_0
+imageio=2.36.0=pypi_0
+importlib-metadata=8.5.0=pypi_0
+importlib-resources=6.4.5=pypi_0
+ipython=8.18.1=pypi_0
+ipywidgets=8.1.5=pypi_0
+itsdangerous=2.2.0=pypi_0
+jedi=0.19.2=pypi_0
+jinja2=3.1.4=pypi_0
+joblib=1.4.2=pypi_0
+jsonschema=4.23.0=pypi_0
+jsonschema-specifications=2024.10.1=pypi_0
+jupyter-core=5.7.2=pypi_0
+jupyterlab-widgets=3.0.13=pypi_0
+kiwisolver=1.4.7=pypi_0
+lcms2=2.16=hb7c19ff_0
+ld_impl_linux-64=2.43=h712a8e2_2
+lerc=4.0.0=h27087fc_0
+libblas=3.9.0=25_linux64_openblas
+libcblas=3.9.0=25_linux64_openblas
+libcublas=11.11.3.6=0
+libcufft=10.9.0.58=0
+libcufile=1.11.1.6=0
+libcurand=10.3.7.77=0
+libcusolver=11.4.1.48=0
+libcusparse=11.7.5.86=0
+libdeflate=1.22=hb9d3cd8_0
+libffi=3.4.2=h7f98852_5
+libgcc=14.2.0=h77fa898_1
+libgcc-ng=14.2.0=h69a702a_1
+libgfortran=14.2.0=h69a702a_1
+libgfortran5=14.2.0=hd5240d6_1
+libgomp=14.2.0=h77fa898_1
+libjpeg-turbo=3.0.0=hd590300_1
+liblapack=3.9.0=25_linux64_openblas
+libnpp=11.8.0.86=0
+libnsl=2.0.1=hd590300_0
+libnvjpeg=11.9.0.86=0
+libopenblas=0.3.28=pthreads_h94d23a6_1
+libpng=1.6.44=hadc24fc_0
+libsqlite=3.47.0=hadc24fc_1
+libstdcxx=14.2.0=hc0a3c3a_1
+libstdcxx-ng=14.2.0=h4852527_1
+libtiff=4.7.0=he137b08_1
+libuuid=2.38.1=h0b41bf4_0
+libwebp-base=1.4.0=hd590300_0
+libxcb=1.17.0=h8a09558_0
+libxcrypt=4.4.36=hd590300_1
+libzlib=1.3.1=hb9d3cd8_2
+lxml=5.3.0=pypi_0
+mako=1.3.7=pypi_0
+markdown=3.7=pypi_0
+markdown-it-py=3.0.0=pypi_0
+markupsafe=3.0.2=pypi_0
+matplotlib=3.9.2=pypi_0
+matplotlib-inline=0.1.7=pypi_0
+mdurl=0.1.2=pypi_0
+mergedeep=1.3.4=pypi_0
+meshio=5.3.4=pypi_0
+mike=2.1.3=pypi_0
+mkdocs=1.6.1=pypi_0
+mkdocs-autorefs=1.2.0=pypi_0
+mkdocs-get-deps=0.2.0=pypi_0
+mkdocs-git-revision-date-localized-plugin=1.3.0=pypi_0
+mkdocs-glightbox=0.4.0=pypi_0
+mkdocs-include-markdown-plugin=7.1.2=pypi_0
+mkdocs-material=9.5.49=pypi_0
+mkdocs-material-extensions=1.3.1=pypi_0
+mkdocs-video=1.5.0=pypi_0
+mkdocstrings=0.27.0=pypi_0
+mkdocstrings-python=1.12.2=pypi_0
+mpmath=1.3.0=pypi_0
+nbformat=5.10.4=pypi_0
+nccl=2.23.4.1=h52f6c39_2
+ncurses=6.5=he02047a_1
+nest-asyncio=1.6.0=pypi_0
+networkx=3.2.1=pyhd8ed1ab_0
+nodeenv=1.9.1=pypi_0
+numpy=1.26.4=pypi_0
+nvidia-cudnn-cu11=8.9.4.25=pypi_0
+omegaconf=2.3.0=pypi_0
+open3d=0.18.0=pypi_0
+openjpeg=2.5.2=h488ebb8_0
+openssl=3.4.0=hb9d3cd8_0
+opt_einsum=3.3.0=pyhc1e730c_2
+optuna=4.1.0=pypi_0
+packaging=24.2=pypi_0
+paddlepaddle-cuda=11.8=many_linux
+paddlepaddle-gpu=3.0.0b2=py39_gpu_cuda11.8_many_linux
+paddlesci=0.0.post1383+g4857525.d20241226=pypi_0
+paginate=0.5.7=pypi_0
+pandas=2.2.3=pypi_0
+parso=0.8.4=pypi_0
+pathspec=0.12.1=pypi_0
+pexpect=4.9.0=pypi_0
+pillow=11.0.0=py39h538c539_0
+pip=24.3.1=pyh8b19718_0
+platformdirs=4.3.6=pypi_0
+plotly=5.24.1=pypi_0
+pre-commit=4.0.1=pypi_0
+prompt-toolkit=3.0.48=pypi_0
+protobuf=5.28.3=py39hf88036b_0
+pthread-stubs=0.4=hb9d3cd8_1002
+ptyprocess=0.7.0=pypi_0
+pure-eval=0.2.3=pypi_0
+pyaml=24.9.0=pypi_0
+pybind11=2.13.6=pypi_0
+pydantic=2.10.1=pypi_0
+pydantic-core=2.27.1=pypi_0
+pyevtk=1.6.0=pypi_0
+pygments=2.18.0=pypi_0
+pymdown-extensions=10.12=pypi_0
+pymesh=1.0.2=pypi_0
+pyparsing=3.2.0=pypi_0
+pyquaternion=0.9.9=pypi_0
+pysdf=0.1.9=pypi_0
+python=3.9.20=h13acc7a_1_cpython
+python-dateutil=2.9.0.post0=pypi_0
+python_abi=3.9=5_cp39
+pytz=2024.2=pypi_0
+pyyaml=6.0.2=pypi_0
+pyyaml-env-tag=0.1=pypi_0
+readline=8.2=h8228510_1
+referencing=0.35.1=pypi_0
+regex=2024.11.6=pypi_0
+requests=2.32.3=pypi_0
+retrying=1.3.4=pypi_0
+rich=13.9.4=pypi_0
+rpds-py=0.21.0=pypi_0
+scikit-learn=1.4.2=pypi_0
+scikit-optimize=0.10.2=pypi_0
+scipy=1.13.1=pypi_0
+seaborn=0.13.2=pypi_0
+setuptools=75.6.0=pyhff2d567_0
+six=1.16.0=pypi_0
+smmap=5.0.1=pypi_0
+sniffio=1.3.1=pyhd8ed1ab_0
+sqlalchemy=2.0.36=pypi_0
+stack-data=0.6.3=pypi_0
+sympy=1.13.3=pypi_0
+tenacity=9.0.0=pypi_0
+threadpoolctl=3.5.0=pypi_0
+tk=8.6.13=noxft_h4845f30_101
+tqdm=4.67.0=pypi_0
+traitlets=5.14.3=pypi_0
+typing_extensions=4.12.2=pyha770c72_0
+tzdata=2024.2=pypi_0
+urllib3=2.2.3=pypi_0
+verspec=0.1.0=pypi_0
+virtualenv=20.27.1=pypi_0
+watchdog=6.0.0=pypi_0
+wcmatch=10.0=pypi_0
+wcwidth=0.2.13=pypi_0
+werkzeug=3.0.6=pypi_0
+wget=3.2=pypi_0
+wheel=0.45.0=pyhd8ed1ab_0
+widgetsnbextension=4.0.13=pypi_0
+xorg-libxau=1.0.11=hb9d3cd8_1
+xorg-libxdmcp=1.1.5=hb9d3cd8_0
+xz=5.2.6=h166bdaf_0
+zipp=3.21.0=pypi_0
+zstd=1.5.6=ha6fb4c9_0