Python software modules
Python and related software.
| Name | Supported Versions | Module(s) | https://hpc.tue.nl | 
|---|---|---|---|
| AlphaFold | 2.3.1-foss-2022a | ml avail AlphFold | |
| Cantera | 3.0.0-foss-2023a2.6.0-foss-2022a | ml avail Cantera | |
| CuPy | 13.0.0-foss-2023a-CUDA-12.1.1 | ml avail CuPy. | |
| IPython | 9.3.0-GCCcore-14.2.08.28.0-GCCcore-13.3.0 | ml avail IPython | |
| Jax | 0.7.0-gfbf-2025a0.4.25-gfbf-2023a-CUDA-12.1.1 | ml avail jax | |
| JupyterLab | 4.4.4-GCCcore-14.2.04.2.5-GCCcore-13.3.0 | ml avail Jupyter | Yes | 
| LightGBM | 4.6.0-foss-2024a4.5.0-foss-2023a-CUDA-12.1.1 | ml avail LightGBM | |
| MLflow | 2.10.2-gfbf-2023a | ml avail MLflow | Yes | 
| numba | 0.62.0-foss-2025a0.60.0-foss-2024a | ml avail numba | |
| OpenCV | 4.11.0-foss-2024a-contrib4.8.1-foss-2023a-CUDA-12.1.1-contrib | ml avail OpenCV | |
| OpenFold | 2.0.0-foss-2023a-CUDA-12.1.11.0.1-foss-2022a-CUDA-11.7.0 | ml av OpenFold | |
| OpenMM | 8.3.0-foss-2025a8.0.0-foss-2023a-CUDA-12.1.1 | ml avail OpenMM | |
| Optuna | 4.1.0-foss-2024a3.5.0-foss-2023a | ml avail Optuna | |
| petsc4py | 3.20.3-foss-2023a3.17.4-foss-2022a | ml avail petsc4py | |
| Python | 3.13.1-GCCcore-14.2.03.12.3-GCCcore-13.3.03.11.3-GCCcore-12.3.03.10.13-GCCcore-11.3.0 | ml avail Python/ | |
| PyTorch | 2.1.2-foss-2023a2.1.2-foss-2023a-CUDA-12.1.1 | ml avail PyTorch | Yes | 
| PyTorch-Lightning | 2.2.1-foss-2023a2.2.1-foss-2023a-CUDA-12.1.11.8.4-foss-2022a1.8.4-foss-2022a-CUDA-11.7.0 | ml avail PyTorch | |
| RHEIA | 1.1.13-foss-2024a1.1.11-foss-2023a | ml avail RHEIA | |
| scikit-bio | 0.6.0-foss-2023a0.5.7-foss-2022a | ml avail scikit-bio | |
| scikit-learn | 1.7.0-gfbf-2025a1.5.2-gfbf-2024a | ml avail scikit-learn | |
| scikit-image | 0.25.0-foss-2024a0.22.0-foss-2023a | ml avail scikit-image | |
| SciPy | 2025.06-gfbf-2025a2024.05-gfbf-2024a | ml avail SciPy-bundle | Yes | 
| SHAP | 0.43.0-foss-2023a | ml avail SHAP | |
| slepc4py | 3.20.2-foss-2023a3.17.2-foss-2022a | ml avail slepc4py | |
| Transformers | 4.55.0-gfbf-2024a4.39.3-gfbf-2023a | ml avail Transformers | |
| Tensorflow | 2.15.1-foss-2023a2.15.1-foss-2023a-CUDA-12.1.12.11.0-foss-2022a2.11.0-foss-2022a-CUDA-11.7.0 | ml avail TensorFlow | Yes | 
| torchvision | 0.16.0-foss-2023a0.16.0-foss-2023a-CUDA-12.1.10.13.1-foss-2022a0.13.1-foss-2022a-CUDA-11.7.0 | ml avail torchvision | Yes | 
| XGBoost | 2.1.3-gfbf-2023a2.1.3-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