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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 8.14.0
8.5.0
ml avail IPython
Jax 0.4.25-gfbf-2023a
0.4.25-gfbf-2023a-CUDA-12.1.1
ml avail jax
JupyterLab 4.0.5-GCCcore-12.3.0
3.5.0-GCCcore-11.3.0
ml avail Jupyter Yes
MLflow MLflow/2.10.2-gfbf-2023a ml avail MLflow Yes
numba 0.58.1-foss-2023a
0.56.4-foss-2022a
ml avail numba
OpenCV 4.8.1-foss-2023a-contrib
4.8.1-foss-2023a-CUDA-12.1.1-contrib
ml avail OpenCV
OpenFold 1.0.1-foss-2022a-CUDA-11.7.0 ml av OpenFold
OpenMM 8.0.0-foss-2023a
8.0.0-foss-2023a-CUDA-12.1.1
ml avail OpenMM
petc4py 3.20.3-foss-2023a
3.17.4-foss-2022a
ml avail petsc4py
Python 3.12.3-GCCcore-13.3.0
3.11.3-GCCcore-12.3.0
3.10.13-GCCcore-11.3.0
3.10.4-GCCcore-11.3.0
ml avail Python/
PyTorch 2.1.2-foss-2022a/2023a
1.12.0-foss-2022a
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 1.1.11-foss-2023a ml avail RHEIA
scikit-bio 0.6.0-foss-2023a
0.5.7-foss-2022a
ml avail scikit-bio
scikit-learn 1.4.2-gfbf-2023a
1.1.2-foss-2022a
ml avail scikit-learn
scikit-image 0.22.0-foss-2023a
0.19.3-foss-2022a
ml avail scikit-image
SciPy 2023.07-gfbf-2023a
2022.05-foss-2022a
ml avail SciPy-bundle Yes
slepc4py 3.20.2-foss-2023a
3.17.2-foss-2022a
ml avail slepc4py
Transformers 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
available pip packages after running module load SciPy-bundle/2023.07-gfbf-2023a
$ mdule load SciPy-bundle/2023.07-gfbf-2023a
$ pip list
Package                          Version
--------------------------------- -----------
alabaster                         0.7.13
appdirs                           1.4.4
asn1crypto                        1.5.1
atomicwrites                      1.4.1
attrs                             23.1.0
Babel                             2.12.1
backports.entry-points-selectable 1.2.0
backports.functools-lru-cache     1.6.5
beniget                           0.4.1
bitstring                         4.0.2
blist                             1.3.6
Bottleneck                        1.3.7
CacheControl                      0.12.14
cachy                             0.3.0
certifi                           2023.5.7
cffi                              1.15.1
chardet                           5.1.0
charset-normalizer                3.1.0
cleo                              2.0.1
click                             8.1.3
cloudpickle                       2.2.1
colorama                          0.4.6
commonmark                        0.9.1
crashtest                         0.4.1
cryptography                      41.0.1
Cython                            0.29.35
deap                              1.4.0
decorator                         5.1.1
distlib                           0.3.6
distro                            1.8.0
docopt                            0.6.2
docutils                          0.20.1
doit                              0.36.0
dulwich                           0.21.5
ecdsa                             0.18.0
editables                         0.3
exceptiongroup                    1.1.1
execnet                           1.9.0
filelock                          3.12.2
flit_core                         3.9.0
fsspec                            2023.6.0
future                            0.18.3
gast                              0.5.4
glob2                             0.7
html5lib                          1.1
idna                              3.4
imagesize                         1.4.1
importlib-metadata                6.7.0
importlib-resources               5.12.0
iniconfig                         2.0.0
intervaltree                      3.1.0
intreehooks                       1.0
ipaddress                         1.0.23
jaraco.classes                    3.2.3
jeepney                           0.8.0
Jinja2                            3.1.2
joblib                            1.2.0
jsonschema                        4.17.3
keyring                           23.13.1
keyrings.alt                      4.2.0
liac-arff                         2.5.0
lockfile                          0.12.2
markdown-it-py                    3.0.0
MarkupSafe                        2.1.3
mdurl                             0.1.2
mock                              5.0.2
more-itertools                    9.1.0
mpmath                            1.3.0
msgpack                           1.0.5
netaddr                           0.8.0
netifaces                         0.11.0
numexpr                           2.8.4
numpy                             1.25.1
packaging                         23.1
pandas                            2.0.3
pastel                            0.2.1
pathlib2                          2.3.7.post1
pathspec                          0.11.1
pbr                               5.11.1
pexpect                           4.8.0
pip                               23.1.2
pkginfo                           1.9.6
platformdirs                      3.8.0
pluggy                            1.2.0
ply                               3.11
pooch                             1.7.0
psutil                            5.9.5
ptyprocess                        0.7.0
py                                1.11.0
py-expression-eval                0.3.14
pyasn1                            0.5.0
pybind11                          2.11.1
pycparser                         2.21
pycryptodome                      3.18.0
pydevtool                         0.3.0
Pygments                          2.15.1
pylev                             1.4.0
PyNaCl                            1.5.0
pyparsing                         3.1.0
pyrsistent                        0.19.3
pytest                            7.4.0
pytest-xdist                      3.3.1
python-dateutil                   2.8.2
pythran                           0.13.1
pytoml                            0.1.21
pytz                              2023.3
rapidfuzz                         2.15.1
regex                             2023.6.3
requests                          2.31.0
requests-toolbelt                 1.0.0
rich                              13.4.2
rich-click                        1.6.1
scandir                           1.10.0
scipy                             1.11.1
SecretStorage                     3.3.3
semantic-version                  2.10.0
setuptools                        67.7.2
shellingham                       1.5.0.post1
simplegeneric                     0.8.1
simplejson                        3.19.1
six                               1.16.0
snowballstemmer                   2.2.0
sortedcontainers                  2.4.0
Sphinx                            7.0.1
sphinx-bootstrap-theme            0.8.1
sphinxcontrib-applehelp           1.0.4
sphinxcontrib-devhelp             1.0.2
sphinxcontrib-htmlhelp            2.0.1
sphinxcontrib-jsmath              1.0.1
sphinxcontrib-qthelp              1.0.3
sphinxcontrib-serializinghtml     1.1.5
sphinxcontrib-websupport          1.2.4
tabulate                          0.9.0
threadpoolctl                     3.1.0
toml                              0.10.2
tomli                             2.0.1
tomli_w                           1.0.0
tomlkit                           0.11.8
typing_extensions                 4.6.3
tzdata                            2023.3
ujson                             5.8.0
urllib3                           1.26.16
versioneer                        0.29
virtualenv                        20.23.1
wcwidth                           0.2.6
webencodings                      0.5.1
wheel                             0.40.0
xlrd                              2.0.1
zipfile36                         0.1.3
zipp                              3.15.0