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Dependencies
- aimsim-core ==2.2.1
- aiohttp ==3.9.5
- aiosignal ==1.3.1
- astartes ==1.2.2
- attrs ==23.2.0
- blinker ==1.8.2
- chemprop ==2.0.0
- click ==8.1.7
- configargparse ==1.7
- dill ==0.3.8
- filelock ==3.15.4
- flask ==3.0.3
- frozenlist ==1.4.1
- fsspec ==2024.6.1
- idna ==3.7
- itsdangerous ==2.2.0
- jinja2 ==3.1.4
- joblib ==1.4.2
- lightning ==2.3.3
- lightning-utilities ==0.11.6
- markupsafe ==2.1.5
- mhfp ==1.9.6
- mordredcommunity ==2.0.6
- mpmath ==1.3.0
- multidict ==6.0.5
- multiprocess ==0.70.16
- networkx ==3.3
- numpy ==1.26.4
- packaging ==24.1
- padelpy ==0.1.16
- pandas ==2.2.2
- pillow ==10.4.0
- psutil ==6.0.0
- python-dateutil ==2.9.0.post0
- pytorch-lightning ==2.3.3
- pytz ==2024.1
- pyyaml ==6.0.1
- rdkit ==2024.3.3
- scikit-learn ==1.5.1
- scipy ==1.14.0
- setuptools ==72.1.0
- six ==1.16.0
- sympy ==1.13.1
- tabulate ==0.9.0
- threadpoolctl ==3.5.0
- torch ==2.4.0
- torchmetrics ==1.4.0.post0
- tqdm ==4.66.4
- typing-extensions ==4.12.2
- tzdata ==2024.1
- werkzeug ==3.0.3
- yarl ==1.9.4