absl-py==2.1.0
aiohttp==3.9.5
aiosignal==1.3.1
alembic==1.13.2
antlr4-python3-runtime==4.9.3
anyio==4.4.0
argon2-cffi==23.1.0
argon2-cffi-bindings==21.2.0
arrow==1.3.0
asttokens==2.4.1
astunparse==1.6.3
async-lru==2.0.4
attrs==23.2.0
autopage==0.5.2
babel==2.16.0
beautifulsoup4==4.12.3
biopython==1.83
bleach==6.1.0
Brotli==1.1.0
cached-property==1.5.2
certifi==2024.7.4
cffi==1.17.0
cfgv==3.4.0
chardet==5.2.0
charset-normalizer==3.3.2
click==8.1.7
cliff==4.7.0
cmaes==0.10.0
cmd2==2.4.3
colorama==0.4.6
colorlog==6.8.2
comm==0.2.2
contourpy==1.2.1
cycler==0.12.1
datasets==2.19.1
debugpy==1.8.1
decorator==5.1.1
deeptime==0.4.4
defusedxml==0.7.1
dill==0.3.8
distlib==0.3.8
docker-pycreds==0.4.0
einops==0.8.0
einx==0.3.0
exceptiongroup==1.2.0
executing==2.0.1
fair-esm==2.0.0
faiss==1.8.0
fastjsonschema==2.20.0
filelock==3.14.0
flatbuffers==24.3.25
fonttools==4.53.0
fqdn==1.5.1
freetype-py==2.3.0
frozendict==2.4.4
frozenlist==1.4.1
fsspec==2024.3.1
ftfy==6.2.3
gast==0.6.0
gitdb==4.0.11
GitPython==3.1.43
gmpy2==2.1.5
google-pasta==0.2.0
greenlet==3.0.3
grpcio==1.65.5
h11==0.14.0
h5py==3.11.0
httpcore==1.0.5
httpx==0.27.0
huggingface_hub==0.23.0
hydra-colorlog==1.2.0
hydra-core==1.3.2
hydra-optuna-sweeper==1.2.0
identify==2.5.36
idna==3.7
imageio==2.34.1
importlib_metadata==7.1.0
ipykernel==6.29.3
ipython==8.22.2
ipywidgets==8.1.3
isoduration==20.11.0
jedi==0.19.1
Jinja2==3.1.4
joblib==1.4.2
json5==0.9.25
jsonpointer==3.0.0
jsonschema==4.22.0
jsonschema-specifications==2023.12.1
jupyter_client==8.6.1
jupyter_core==5.7.2
jupyter-events==0.10.0
jupyter-lsp==2.2.5
jupyter_server==2.14.2
jupyter_server_terminals==0.5.3
jupyterlab==4.2.4
jupyterlab_pygments==0.3.0
jupyterlab_server==2.27.3
jupyterlab_widgets==3.0.11
kappamodules==0.1.70
keopscore==2.2.3
keras==3.5.0
kiwisolver==1.4.5
lazy_loader==0.4
libclang==18.1.1
lightning==2.2.4
lightning-utilities==0.11.2
lmdb==1.5.1
Mako==1.3.5
Markdown==3.7
markdown-it-py==3.0.0
MarkupSafe==2.1.5
matplotlib==3.9.1
matplotlib-inline==0.1.7
mdtraj==1.9.9
mdurl==0.1.2
mistune==3.0.2
ml-dtypes==0.4.0
mmtf-python==1.1.3
moleculekit==1.8.32
mpmath==1.3.0
mrcfile==1.5.0
msgpack==1.0.8
multidict==6.0.5
multiprocess==0.70.16
munkres==1.1.4
namex==0.0.8
nbclient==0.10.0
nbconvert==7.16.4
nbformat==5.10.4
nest_asyncio==1.6.0
networkx==3.3
nglview==3.1.2
nodeenv==1.8.0
notebook==7.2.1
notebook_shim==0.2.4
numexpr==2.8.3
numpy==1.26.4
omegaconf==2.3.0
opt-einsum==3.3.0
optree==0.12.1
optuna==2.10.1
overrides==7.7.0
p_tqdm==1.4.0
packaging==24.0
pandas==2.2.2
pandocfilters==1.5.1
ParmEd==4.2.2
parso==0.8.4
pastel==0.2.1
pathos==0.3.2
pbr==6.0.0
pexpect==4.9.0
pickleshare==0.7.5
Pillow==9.4.0
pip==24.2
platformdirs==4.2.1
plotly==5.22.0
poethepoet==0.10.0
polars==0.20.24
POT==0.9.4
pox==0.3.4
ppft==1.7.6.8
pre-commit==3.7.0
pretty-errors==1.2.25
prettytable==3.10.2
prometheus_client==0.20.0
prompt-toolkit==3.0.42
protobuf==4.25.3
psutil==5.9.8
ptyprocess==0.7.0
pure-eval==0.2.2
py-cpuinfo==9.0.0
pyarrow==15.0.2
pyarrow-hotfix==0.6
pybind11==2.13.1
pycairo==1.25.0
pycparser==2.22
pyg-lib==0.4.0+pt23cu121
Pygments==2.18.0
pykeops==2.2.3
pyparsing==3.1.2
pyperclip==1.9.0
PySocks==1.7.1
python-dateutil==2.9.0
python-dotenv==1.0.1
python-json-logger==2.0.7
pytorch-lightning==2.2.2
pytz==2024.1
PyYAML==6.0.1
pyzmq==26.0.3
referencing==0.35.1
regex==2024.4.28
reportlab==4.2.2
requests==2.31.0
rfc3339-validator==0.1.4
rfc3986-validator==0.1.1
rich==13.7.1
rlPyCairo==0.2.0
rootutils==1.0.7
rotary-embedding-torch==0.6.4
rpds-py==0.18.1
safetensors==0.4.3
scikit-image==0.24.0
scikit-learn==1.5.0
scipy==1.13.1
seaborn==0.13.2
Send2Trash==1.8.3
sentry-sdk==2.1.1
setproctitle==1.3.3
setuptools==69.5.1
six==1.16.0
smmap==5.0.1
sniffio==1.3.1
soupsieve==2.6
SQLAlchemy==2.0.31
stack-data==0.6.2
stevedore==5.2.0
sympy==1.12
tables==3.9.2
tenacity==8.4.1
tensorboard==2.17.1
tensorboard-data-server==0.7.2
tensorflow==2.17.0
tensorflow-io-gcs-filesystem==0.37.1
termcolor==2.4.0
terminado==0.18.1
threadpoolctl==3.5.0
tifffile==2024.6.18
timm==1.0.8
tinycss2==1.3.0
tokenizers==0.19.1
tomlkit==0.13.0
torch==2.3.0
torch_cluster==1.6.3+pt23cu121
torch_geometric==2.5.3
torch_scatter==2.1.2+pt23cu121
torch_spline_conv==1.2.2+pt23cu121
torchaudio==2.3.0
torchcde==0.2.5
torchdiffeq==0.2.4
torchdyn==1.0.6
torchmd==1.0.2
torchmetrics==1.4.0
torchsde==0.2.6
torchvision==0.18.0
tornado==6.4
tqdm==4.66.4
traitlets==5.14.3
trampoline==0.1.2
transformers==4.40.2
triton==2.3.0
types-python-dateutil==2.9.0.20240316
typing_extensions==4.11.0
tzdata==2024.1
uri-template==1.3.0
urllib3==2.2.1
vector-quantize-pytorch==1.15.6
virtualenv==20.26.1
wandb==0.17.5
wcwidth==0.2.13
webcolors==24.8.0
webencodings==0.5.1
websocket-client==1.8.0
Werkzeug==3.0.4
wheel==0.43.0
widgetsnbextension==4.0.11
wrapt==1.16.0
x-transformers==1.32.14
xxhash==3.4.1
yarl==1.9.4
zipp==3.17.0
zuko==1.2.0
