molcraftdiffusion

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Author: None
License: MIT
Summary: A unified generative AI framework for 3D molecular generation using diffusion models
Latest version: 1.2.0
Required dependencies: ase | biotite | click | datamol | decorator | e3nn | fire | hydra-colorlog | hydra-core | lightning | lmdb | matplotlib | mendeleev | morfeus-ml | networkx | numpy | omegaconf | open3d | pandas | posebusters | posecheck | psutil | pyyaml | rdkit-pypi | rich | rmsd | rootutils | scikit-learn | scipy | seaborn | tensordict | torchmetrics | tqdm | wandb
Optional dependencies: black | flake8 | isort | mypy | myst-parser | pre-commit | pytest | pytest-cov | pytest-mock | sphinx | sphinx-rtd-theme | torch | torch_cluster | torch_geometric | torch_scatter | torch_sparse | torch_spline_conv | torchaudio | torchvision

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