absl-py==2.1.0
accelerate==0.32.1
aiohttp==3.9.3
aiosignal==1.3.1
altair==5.2.0
annotated-types==0.6.0
appdirs==1.4.4
apricot-select==0.6.1
argcomplete==3.2.2
art==6.2
ase==3.23.0
asttokens @ file:///home/conda/feedstock_root/build_artifacts/asttokens_1698341106958/work
async-timeout==4.0.3
attrs==23.2.0
backcall @ file:///home/conda/feedstock_root/build_artifacts/backcall_1592338393461/work
basis-set-exchange==0.9.1
beautifulsoup4==4.12.3
bel-resources==0.0.3
bertviz==1.4.0
bioregistry==0.11.10
bitarray==2.9.2
blinker==1.7.0
boto3==1.34.51
botocore==1.34.51
Brotli @ file:///tmp/abs_ecyw11_7ze/croots/recipe/brotli-split_1659616059936/work
bypy==1.8.5
CachedMethods==0.1.4
cachetools==5.3.3
certifi @ file:///home/conda/feedstock_root/build_artifacts/certifi_1718025014955/work/certifi
cffi @ file:///croot/cffi_1700254295673/work
CGRtools==4.0.41
chainer==7.8.1
chainer-chemistry==0.7.1
chardet==5.2.0
charset-normalizer @ file:///tmp/build/80754af9/charset-normalizer_1630003229654/work
CIMtools==4.0.8
click==8.1.7
click-plugins==1.1.1
cloudpickle==3.0.0
comm @ file:///home/conda/feedstock_root/build_artifacts/comm_1704278392174/work
contextlib2==21.6.0
contourpy==1.2.0
cryptography @ file:///croot/cryptography_1702070282333/work
cupy-cuda11x==13.0.0
curies==0.7.9
cycler==0.12.1
dask==2024.6.2
dask-expr==1.1.6
datasets==2.17.1
debugpy @ file:///croot/debugpy_1690905042057/work
decorator @ file:///home/conda/feedstock_root/build_artifacts/decorator_1641555617451/work
deepchem==2.8.0
deepsmiles==1.0.1
dgl==0.9.1.post1
diffuser==0.0.1
diffusers==0.26.3
dill==0.3.8
diskcache==5.6.3
DLLogger @ git+https://github.com/NVIDIA/dllogger@0540a43971f4a8a16693a9de9de73c1072020769
dnspython==2.6.1
docker-pycreds==0.4.0
dominate==2.9.1
drfp==0.3.6
e3nn==0.5.1
entrypoints @ file:///home/conda/feedstock_root/build_artifacts/entrypoints_1643888246732/work
et_xmlfile==2.0.0
exceptiongroup==1.2.0
executing @ file:///home/conda/feedstock_root/build_artifacts/executing_1698579936712/work
fastjsonschema==2.20.0
fastrlock==0.8.2
FCD==1.2
filelock==3.13.1
Flask==3.0.2
Flask-Bootstrap==3.3.7.1
fonttools==4.49.0
frozenlist==1.4.1
fsspec==2023.10.0
future==1.0.0
gdown==5.1.0
gitdb==4.0.11
GitPython==3.1.42
greenlet==3.0.3
grpcio==1.62.0
guacamol==0.5.5
h11==0.14.0
h5py==3.10.0
huggingface-hub==0.23.4
humanize==4.9.0
idna @ file:///croot/idna_1666125576474/work
importlib-metadata==7.0.1
importlib_resources==6.1.2
info-nce-pytorch==0.1.4
ipykernel @ file:///home/conda/feedstock_root/build_artifacts/ipykernel_1708996548741/work
ipython @ file:///home/conda/feedstock_root/build_artifacts/ipython_1680185408135/work
ipywidgets==8.1.5
isodate==0.6.1
itsdangerous==2.1.2
jedi @ file:///home/conda/feedstock_root/build_artifacts/jedi_1696326070614/work
Jinja2==3.1.3
jmespath==1.0.1
joblib==1.3.2
jsonschema==4.21.1
jsonschema-specifications==2023.12.1
jupyter-client @ file:///home/conda/feedstock_root/build_artifacts/jupyter_client_1654730843242/work
jupyter_core @ file:///home/conda/feedstock_root/build_artifacts/jupyter_core_1704727023078/work
jupyterlab_widgets==3.0.13
kiwisolver==1.4.5
lightning-utilities==0.11.2
littleutils==0.2.4
llvmlite==0.42.0
lmdb==1.4.1
locket==1.0.0
lxml==5.2.2
Markdown==3.5.2
markdown-it-py==3.0.0
MarkupSafe==2.1.5
matplotlib==3.8.3
matplotlib-inline @ file:///home/conda/feedstock_root/build_artifacts/matplotlib-inline_1660814786464/work
mdurl==0.1.2
mkl-fft @ file:///croot/mkl_fft_1695058164594/work
mkl-random @ file:///croot/mkl_random_1695059800811/work
mkl-service==2.4.0
ml-collections==0.1.1
modin==0.31.0
molsets==0.3.1
more-click==0.1.2
more-itertools==10.3.0
mpmath==1.3.0
multidict==6.0.5
multiprocess==0.70.16
multisplitby==0.0.1
nbformat==5.10.4
nest_asyncio @ file:///home/conda/feedstock_root/build_artifacts/nest-asyncio_1705850609492/work
networkx @ file:///croot/networkx_1690561992265/work
nose==1.3.7
numba==0.59.1
numpy @ file:///croot/numpy_and_numpy_base_1704311704800/work/dist/numpy-1.26.3-cp39-cp39-linux_x86_64.whl#sha256=93e7b9e5e2090dd03810e7c1b02cb077d3ef49fc713f0af531e0667375d9decb
nvidia-ml-py==12.535.161
nvitop==1.3.2
ogb==1.3.6
openpyxl==3.1.5
opt-einsum==3.3.0
opt-einsum-fx==0.1.4
outdated==0.2.2
packaging @ file:///home/conda/feedstock_root/build_artifacts/packaging_1696202382185/work
pandarallel==1.6.5
pandas==1.2.4
parso @ file:///home/conda/feedstock_root/build_artifacts/parso_1638334955874/work
partd==1.4.2
pexpect @ file:///home/conda/feedstock_root/build_artifacts/pexpect_1706113125309/work
pickleshare @ file:///home/conda/feedstock_root/build_artifacts/pickleshare_1602536217715/work
pillow==10.2.0
platformdirs @ file:///home/conda/feedstock_root/build_artifacts/platformdirs_1706713388748/work
plotly==5.24.1
pomegranate==1.0.4
prompt-toolkit @ file:///home/conda/feedstock_root/build_artifacts/prompt-toolkit_1702399386289/work
protobuf==4.25.3
psutil @ file:///opt/conda/conda-bld/psutil_1656431268089/work
psycopg2-binary==2.9.9
ptyprocess @ file:///home/conda/feedstock_root/build_artifacts/ptyprocess_1609419310487/work/dist/ptyprocess-0.7.0-py2.py3-none-any.whl
pure-eval @ file:///home/conda/feedstock_root/build_artifacts/pure_eval_1642875951954/work
pyarrow==15.0.0
pyarrow-hotfix==0.6
pybel==0.15.5
pycm==4.0
pycparser @ file:///tmp/build/80754af9/pycparser_1636541352034/work
pydantic==2.6.3
pydantic-settings==2.2.1
pydantic_core==2.16.3
pydeck==0.8.1b0
pyDeprecate==0.3.1
pyg-lib @ file:///home/jyz/GraphFP/pyg_lib-0.4.0%2Bpt112cu113-cp39-cp39-linux_x86_64.whl#sha256=8b81dbd6fe78ec8b6458edf06ed54a14459618f046ae3217d520a12ac7b7f273
Pygments @ file:///home/conda/feedstock_root/build_artifacts/pygments_1700607939962/work
pyjnius==1.6.1
pymongo==4.6.2
PyMuPDF==1.24.10
PyMuPDFb==1.24.10
pynvml==11.5.0
pyOpenSSL @ file:///croot/pyopenssl_1690223430423/work
pyparsing==3.1.1
pyscf==2.5.0
PySocks @ file:///tmp/build/80754af9/pysocks_1605305812635/work
pystow==0.5.4
python-dateutil==2.8.2
python-dotenv==1.0.1
pytorch-lightning==2.0.0
PyTrie==0.4.0
pytz==2024.1
PyYAML==6.0.1
pyzmq @ file:///croot/pyzmq_1705605076900/work
ratelimit==2.2.1
rdchiral==1.1.0
rdflib==7.0.0
rdkit==2023.9.4
rdkit-pypi==2022.9.5
referencing==0.33.0
regex==2023.12.25
requests @ file:///croot/requests_1690400202158/work
requests-file==2.1.0
requests-toolbelt==1.0.0
rich==13.7.0
rpds-py==0.18.0
rxn-chem-utils==1.5.0
rxn-utils==2.0.0
rxnfp==0.1.0
rxnmapper==0.3.0
s3transfer==0.10.0
sacremoses==0.1.1
safetensors==0.4.2
scikit-learn==0.24.1
scipy @ file:///croot/scipy_1701295040508/work/dist/scipy-1.11.4-cp39-cp39-linux_x86_64.whl#sha256=1f9b757a21b482354a59770c1b025701f2228439c621dc0894a792120398a6e9
seaborn==0.13.2
selfies==1.0.4
sentencepiece==0.2.0
sentry-sdk==1.40.6
seqeval==1.2.2
setproctitle==1.3.3
setuptools-scm==8.0.4
shadowsocks==2.8.2
simpletransformers==0.70.0
six @ file:///home/conda/feedstock_root/build_artifacts/six_1620240208055/work
smmap==5.0.1
sortedcontainers==2.4.0
soupsieve==2.5
SQLAlchemy==2.0.31
stack-data @ file:///home/conda/feedstock_root/build_artifacts/stack_data_1669632077133/work
streamlit==1.31.1
StrEnum==0.4.15
swifter==1.4.0
sympy==1.12
t5chem==1.0.0
tabulate==0.9.0
tenacity==8.2.3
tensorboard==2.16.2
tensorboard-data-server==0.7.2
tensorboardX==2.6.2.2
termcolor==2.4.0
textdistance==4.6.3
threadpoolctl==3.2.0
tokenizers==0.14.1
toml==0.10.2
tomli==2.0.1
toolz==0.12.1
torch==1.12.1+cu113
torch-cluster @ file:///home/jyz/GraphFP/torch_cluster-1.6.0%2Bpt112cu113-cp39-cp39-linux_x86_64.whl#sha256=14af0ee0b5d6a87b56c64ec22fdd0264e14f80f472cbc33aa47328077bdd0516
torch-scatter @ file:///home/jyz/GraphFP/torch_scatter-2.1.0%2Bpt112cu113-cp39-cp39-linux_x86_64.whl#sha256=ad2590451f514b1c67209c93a2723c522d90efc7c7c3476844dace5726b3094a
torch-sparse @ file:///home/jyz/GraphFP/torch_sparse-0.6.16%2Bpt112cu113-cp39-cp39-linux_x86_64.whl#sha256=f83216a785346e0ee5c6cc2da14ad8ddd4ad5e48a72d6458634682563e13130a
torch-spline-conv @ file:///home/jyz/GraphFP/torch_spline_conv-1.2.1%2Bpt112cu113-cp39-cp39-linux_x86_64.whl#sha256=59d96f54d6903e5b0d5380df9ce4c1a6d564e85e1739187fa1b9357c6da624cf
torch_geometric==2.5.2
torchaudio==0.12.1+cu113
torchmetrics==0.11.4
torchtext==0.13.0
torchvision==0.13.1+cu113
tornado @ file:///home/conda/feedstock_root/build_artifacts/tornado_1648827245914/work
tqdm @ file:///croot/tqdm_1679561862951/work
traitlets @ file:///home/conda/feedstock_root/build_artifacts/traitlets_1704212992681/work
transformers==4.34.0
typing==3.7.4.3
typing_extensions @ file:///home/conda/feedstock_root/build_artifacts/typing_extensions_1708904622550/work
tzdata==2024.1
tzlocal==5.2
unicore @ file:///home/jyz/Uni-Mol/unimol/weights/unicore-0.0.1%2Bcu113torch1.12.1-cp39-cp39-linux_x86_64.whl#sha256=76ddaed639e72124b1f492676487c87120885b6014013ee3eca4d205b575e456
Unidecode==1.3.8
urllib3 @ file:///croot/urllib3_1698257533958/work
uvicorn==0.29.0
validators==0.22.0
visitor==0.1.3
wandb==0.16.3
watchdog==4.0.0
wcwidth @ file:///home/conda/feedstock_root/build_artifacts/wcwidth_1704731205417/work
Werkzeug==3.0.1
widgetsnbextension==4.0.13
WTForms==3.1.2
xlrd==2.0.1
xmltodict==0.13.0
xxhash==3.4.1
yarl==1.9.4
zipp==3.17.0
