diff --git a/environment.yaml b/environment.yaml
new file mode 100644
index 0000000..e5ba62e
--- /dev/null
+++ b/environment.yaml
@@ -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