Exact Python dependencies for RXNMapper

Python version

(rxnmapper-virtual-environment)
$ python
Python 3.10.14 (main, Jul 31 2024, 21:14:36) [GCC 14.1.1 20240720] on linux
Type "help", "copyright", "credits" or "license" for more information.
>>> import sys
>>> print(sys.version)
3.10.14 (main, Jul 31 2024, 21:14:36) [GCC 14.1.1 20240720]

Dependencies list

(rxnmapper-virtual-environment)
$ pip list --local

Package                  Version
------------------------ -----------
annotated-types          0.7.0
attrs                    24.2.0
beautifulsoup4           4.12.3
bs4                      0.0.2
certifi                  2024.7.4
charset-normalizer       3.3.2
click                    8.1.7
CTSgetPy                 0.0.2
diskcache                5.6.3
dnspython                2.6.1
filelock                 3.15.4
fsspec                   2024.6.1
huggingface-hub          0.24.6
idna                     3.8
Jinja2                   3.1.4
MarkupSafe               2.1.5
mpmath                   1.3.0
networkx                 3.3
numpy                    2.1.0
nvidia-cublas-cu12       12.1.3.1
nvidia-cuda-cupti-cu12   12.1.105
nvidia-cuda-nvrtc-cu12   12.1.105
nvidia-cuda-runtime-cu12 12.1.105
nvidia-cudnn-cu12        9.1.0.70
nvidia-cufft-cu12        11.0.2.54
nvidia-curand-cu12       10.3.2.106
nvidia-cusolver-cu12     11.4.5.107
nvidia-cusparse-cu12     12.1.0.106
nvidia-nccl-cu12         2.20.5
nvidia-nvjitlink-cu12    12.6.68
nvidia-nvtx-cu12         12.1.105
packaging                24.1
pandas                   2.2.2
pillow                   10.4.0
pip                      24.2
pydantic                 2.8.2
pydantic_core            2.20.1
pydantic-settings        2.4.0
pymongo                  4.8.0
python-dateutil          2.9.0.post0
python-dotenv            1.0.1
pytz                     2024.1
PyYAML                   6.0.2
rdkit                    2024.3.5
regex                    2024.7.24
requests                 2.32.3
rxn-chem-utils           1.6.0
rxn-utils                2.0.0
rxnmapper                0.3.1
safetensors              0.4.4
scipy                    1.14.1
setuptools               72.1.0
six                      1.16.0
soupsieve                2.6
sympy                    1.13.2
tdqm                     0.0.1
tokenizers               0.19.1
torch                    2.4.0
tqdm                     4.66.5
transformers             4.44.2
triton                   3.0.0
typing_extensions        4.12.2
tzdata                   2024.1
urllib3                  2.2.2
wheel                    0.43.0