Factual package intelligence from PyPI

deepfrag2 2.0.0 package intelligence

DeepFrag2: A Deep Learning Framework for Fragment-Based Lead Optimization

pip install deepfrag2

Current version
2.0.0
Python requirement
<3.10,>=3.9
License
MIT
Distribution type
Pure Python wheel
Release files
2 (1 wheels, 1 source)
Download size
3.7 MiB
Release history
1 releases with files
Median release cadence
Not enough dated releases

deepfrag2 dependencies

PyPI declares 33 unique dependency rules for this release. Environment markers are shown when supplied by the project.

  1. pip ==24.0
  2. numpy ==1.23.5
  3. numba ==0.56.4
  4. ProDy ==2.4.1
  5. torch ==1.11.0
  6. torchvision ==0.12.0
  7. torchaudio ==0.11.0
  8. pytorch-lightning ==1.4.9
  9. scipy ==1.11.4
  10. pandas ==1.4.4
  11. rdkit ==2024.3.1
  12. k3d ==2.15.2
  13. py3Dmol ==2.4.0
  14. h5py ==3.7.0
  15. scikit-learn ==1.5.1
  16. torchinfo ==1.8.0
  17. wandb ==0.15.8
  18. torch_geometric
  19. filelock ==3.13.1
  20. regex
  21. sacremoses ==0.0.53
  22. sentencepiece ==0.2.0
  23. tokenizers ==0.20.0
  24. torchmetrics ==0.7.3
  25. matplotlib ==3.8.3

The compact report shows 25 of 33 declarations. The interactive dependency graph loads the complete metadata.

Compatibility and release files

deepfrag2 publishes 1 wheel and 1 source archive for version 2.0.0. Wheel platform tags: any.

Declared Python classifiers: 3.9.

Release activity and sources

PyPI lists 1 release with files. The first dated release is ; 1 release falls within the 365 days preceding the latest dated release. The current release files were uploaded on .