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Python software modules

Name Supported Versions Module(s) https://hpc.tue.nl
AlphaFold 2.3.1-foss-2022a ml avail AlphFold
Cantera 3.0.0-foss-2023a
2.6.0-foss-2022a
ml avail Cantera
CuPy 13.0.0-foss-2023a-CUDA-12.1.1 ml avail CuPy.
IPython 9.3.0-GCCcore-14.2.0
8.28.0-GCCcore-13.3.0
ml avail IPython
Jax 0.7.0-gfbf-2025a
0.4.25-gfbf-2023a-CUDA-12.1.1
ml avail jax
JupyterLab 4.4.4-GCCcore-14.2.0
4.2.5-GCCcore-13.3.0
ml avail Jupyter Yes
LightGBM 4.6.0-foss-2024a
4.5.0-foss-2023a-CUDA-12.1.1
ml avail LightGBM
MLflow 2.10.2-gfbf-2023a ml avail MLflow Yes
numba 0.62.0-foss-2025a
0.60.0-foss-2024a
ml avail numba
OpenCV 4.11.0-foss-2024a-contrib
4.8.1-foss-2023a-CUDA-12.1.1-contrib
ml avail OpenCV
OpenFold 2.0.0-foss-2023a-CUDA-12.1.1
1.0.1-foss-2022a-CUDA-11.7.0
ml av OpenFold
OpenMM 8.3.0-foss-2025a
8.0.0-foss-2023a-CUDA-12.1.1
ml avail OpenMM
Optuna 4.1.0-foss-2024a
3.5.0-foss-2023a
ml avail Optuna
petsc4py 3.20.3-foss-2023a
3.17.4-foss-2022a
ml avail petsc4py
Python 3.13.1-GCCcore-14.2.0
3.12.3-GCCcore-13.3.0
3.11.3-GCCcore-12.3.0
3.10.13-GCCcore-11.3.0
ml avail Python/
PyTorch 2.1.2-foss-2023a
2.1.2-foss-2023a-CUDA-12.1.1
ml avail PyTorch Yes
PyTorch-Lightning 2.2.1-foss-2023a
2.2.1-foss-2023a-CUDA-12.1.1
1.8.4-foss-2022a
1.8.4-foss-2022a-CUDA-11.7.0
ml avail PyTorch
RHEIA 1.1.13-foss-2024a
1.1.11-foss-2023a
ml avail RHEIA
scikit-bio 0.6.0-foss-2023a
0.5.7-foss-2022a
ml avail scikit-bio
scikit-learn 1.7.0-gfbf-2025a
1.5.2-gfbf-2024a
ml avail scikit-learn
scikit-image 0.25.0-foss-2024a
0.22.0-foss-2023a
ml avail scikit-image
SciPy 2025.06-gfbf-2025a
2024.05-gfbf-2024a
ml avail SciPy-bundle Yes
SHAP 0.43.0-foss-2023a ml avail SHAP
slepc4py 3.20.2-foss-2023a
3.17.2-foss-2022a
ml avail slepc4py
Transformers 4.55.0-gfbf-2024a
4.39.3-gfbf-2023a
ml avail Transformers
Tensorflow 2.15.1-foss-2023a
2.15.1-foss-2023a-CUDA-12.1.1
2.11.0-foss-2022a
2.11.0-foss-2022a-CUDA-11.7.0
ml avail TensorFlow Yes
torchvision 0.16.0-foss-2023a
0.16.0-foss-2023a-CUDA-12.1.1
0.13.1-foss-2022a
0.13.1-foss-2022a-CUDA-11.7.0
ml avail torchvision Yes
XGBoost 2.1.3-gfbf-2023a
2.1.3-gfbf-2023a-CUDA-12.1.1
ml avail XGBoost
available pip packages after running module load SciPy-bundle/2025.06-gfbf-2025a
$ module load SciPy-bundle/2023.07-gfbf-2023a
$ pip list
Package                          Version
--------------------------------- -----------
alabaster                         1.0.0
appdirs                           1.4.4
asn1crypto                        1.5.1
atomicwrites                      1.4.1
attrs                             25.3.0
babel                             2.17.0
backports.entry_points_selectable 1.3.0
backports.functools_lru_cache     2.0.0
beniget                           0.4.2.post1
bitarray                          3.3.1
bitstring                         4.3.1
Bottleneck                        1.5.0
CacheControl                      0.14.2
cachy                             0.3.0
certifi                           2025.4.26
cffi                              1.17.1
chardet                           5.2.0
charset-normalizer                3.4.1
cleo                              2.1.0
click                             8.1.8
cloudpickle                       3.1.1
colorama                          0.4.6
commonmark                        0.9.1
crashtest                         0.4.1
cryptography                      44.0.2
deap                              1.4.3
decorator                         5.2.1
distlib                           0.3.9
distro                            1.9.0
docopt                            0.6.2
docutils                          0.21.2
doit                              0.36.0
dulwich                           0.22.8
ecdsa                             0.19.1
editables                         0.5
exceptiongroup                    1.2.2
execnet                           2.1.1
filelock                          3.18.0
flit_core                         3.10.1
fsspec                            2025.3.2
future                            1.0.0
gast                              0.6.0
glob2                             0.7
html5lib                          1.1
idna                              3.10
imagesize                         1.4.1
importlib_metadata                8.7.0
importlib_resources               6.5.2
iniconfig                         2.1.0
intervaltree                      3.1.0
intreehooks                       1.0
ipaddress                         1.0.23
jaraco.classes                    3.4.0
jaraco.context                    6.0.1
jaraco.functools                  4.1.0
jeepney                           0.9.0
Jinja2                            3.1.6
joblib                            1.4.2
jsonschema                        4.23.0
jsonschema-specifications         2025.4.1
keyring                           25.6.0
keyrings.alt                      5.0.2
liac-arff                         2.5.0
lockfile                          0.12.2
markdown-it-py                    3.0.0
MarkupSafe                        3.0.2
mdurl                             0.1.2
mock                              5.2.0
more-itertools                    10.7.0
mpmath                            1.3.0
msgpack                           1.1.0
netaddr                           1.3.0
netifaces                         0.11.0
numexpr                           2.11.0
numpy                             2.3.1
packaging                         24.2
pandas                            2.3.0
pastel                            0.2.1
pathlib2                          2.3.7.post1
pathspec                          0.12.1
pbr                               6.1.1
pexpect                           4.9.0
pip                               24.3.1
pkginfo                           1.12.1.2
platformdirs                      4.3.7
pluggy                            1.5.0
ply                               3.11
pooch                             1.8.2
psutil                            7.0.0
ptyprocess                        0.7.0
py                                1.11.0
py_expression_eval                0.3.14
pyasn1                            0.6.1
pycparser                         2.22
pycryptodome                      3.22.0
pydevtool                         0.3.0
Pygments                          2.19.1
pylev                             1.4.0
PyNaCl                            1.5.0
pyparsing                         3.2.3
pyrsistent                        0.20.0
pytest                            8.3.5
pytest-xdist                      3.6.1
python-dateutil                   2.9.0.post0
pythran                           0.18.0
pytoml                            0.1.21
pytz                              2025.2
RapidFuzz                         3.13.0
referencing                       0.36.2
regex                             2024.11.6
requests                          2.32.3
requests-toolbelt                 1.0.0
rich                              14.0.0
rich-click                        1.8.8
roman-numerals-py                 3.1.0
rpds-py                           0.24.0
scandir                           1.10.0
scipy                             1.16.0
SecretStorage                     3.3.3
semantic_version                  2.10.0
setuptools                        75.6.0
setuptools-scm                    8.1.0
shellingham                       1.5.4
simplegeneric                     0.8.1
simplejson                        3.20.1
six                               1.17.0
snowballstemmer                   2.2.0
sortedcontainers                  2.4.0
Sphinx                            8.2.3
sphinx-bootstrap-theme            0.8.1
sphinxcontrib-applehelp           2.0.0
sphinxcontrib-devhelp             2.0.0
sphinxcontrib-htmlhelp            2.1.0
sphinxcontrib-jsmath              1.0.1
sphinxcontrib-qthelp              2.0.0
sphinxcontrib-serializinghtml     2.0.0
sphinxcontrib-websupport          2.0.0
tabulate                          0.9.0
threadpoolctl                     3.6.0
toml                              0.10.2
tomli                             2.2.1
tomli_w                           1.2.0
tomlkit                           0.13.2
typing_extensions                 4.12.2
tzdata                            2025.2
ujson                             5.10.0
urllib3                           2.4.0
versioneer                        0.29
virtualenv                        20.29.2
wcwidth                           0.2.13
webencodings                      0.5.1
wheel                             0.45.1
xlrd                              2.0.1
zipfile36                         0.1.3
zipp                              3.21.0