├── .gitignore ├── LICENSE ├── README.md ├── configs ├── fff │ ├── dw4.yaml │ ├── lj13.yaml │ ├── lj55.yaml │ ├── qm9.yaml │ ├── sbi_base.yaml │ └── sbi_gaussian_mixture_example.yaml ├── fif │ ├── celeba.yaml │ ├── mnist-conditional.yaml │ ├── mnist.yaml │ ├── tabular-gas.yaml │ ├── tabular-hepmass.yaml │ ├── tabular-miniboone.yaml │ ├── tabular-power.yaml │ ├── tabular.yaml │ └── toy.yaml └── m-fff │ ├── bunny-big.yaml │ ├── bunny-huge.yaml │ ├── bunny-intermediate.yaml │ ├── bunny.yaml │ ├── earth.yaml │ ├── earthquake.yaml │ ├── fire.yaml │ ├── flood.yaml │ ├── hyperbolic_checkerboard.yaml │ ├── hyperbolic_five_gaussians.yaml │ ├── hyperbolic_one_gaussian.yaml │ ├── hyperbolic_swish.yaml │ ├── protein.yaml │ ├── protein_general.yaml │ ├── protein_glycine.yaml │ ├── protein_prepro.yaml │ ├── protein_proline.yaml │ ├── rna.yaml │ ├── so3-32.yaml │ ├── so3-64.yaml │ ├── so3.yaml │ ├── volcano.yaml │ └── von-mises-circle.yaml ├── fff ├── __init__.py ├── base.py ├── data │ ├── __init__.py │ ├── earth.py │ ├── hyperbolic.py │ ├── image.py │ ├── manifold.py │ ├── meshes.py │ ├── molecular.py │ ├── qm9 │ │ ├── LICENSE │ │ ├── __init__.py │ │ ├── analyze.py │ │ ├── bond_analyze.py │ │ ├── data │ │ │ ├── __init__.py │ │ │ ├── args.py │ │ │ ├── collate.py │ │ │ ├── dataset_class.py │ │ │ ├── prepare │ │ │ │ ├── __init__.py │ │ │ │ ├── download.py │ │ │ │ ├── md17.py │ │ │ │ ├── process.py │ │ │ │ ├── qm9.py │ │ │ │ └── utils.py │ │ │ └── utils.py │ │ ├── dataset.py │ │ ├── losses.py │ │ ├── models.py │ │ ├── property_prediction │ │ │ ├── README.md │ │ │ ├── __init__.py │ │ │ ├── main_qm9_prop.py │ │ │ ├── models │ │ │ │ ├── __init__.py │ │ │ │ └── gcl.py │ │ │ ├── models_property.py │ │ │ └── prop_utils.py │ │ ├── rdkit_functions.py │ │ ├── sampling.py │ │ ├── utils.py │ │ └── visualizer.py │ ├── raw_data │ │ └── torus │ │ │ ├── protein.tsv │ │ │ └── rna.tsv │ ├── sbi.py │ ├── special_orthogonal.py │ ├── tabular.py │ ├── torus.py │ ├── toy.py │ └── utils.py ├── distributions │ ├── __init__.py │ ├── energy_toy_distribution.py │ ├── learnable.py │ ├── manifold_uniform.py │ ├── mixture_distribution.py │ ├── multivariate_student_t.py │ ├── von_mises_fisher.py │ └── wrapped_at_origin.py ├── evaluate │ ├── __init__.py │ ├── bg.py │ ├── c2st.py │ ├── plots.py │ ├── qm9.py │ ├── tori.py │ └── utils.py ├── fff.py ├── fif.py ├── loss.py ├── m_fff.py ├── model │ ├── __init__.py │ ├── auto_encoder.py │ ├── conv_auto_encoder.py │ ├── en_graph.py │ ├── en_graph_utils │ │ ├── __init__.py │ │ ├── dequantize.py │ │ ├── egnn.py │ │ ├── egnn_qm9.py │ │ ├── position_feature_prior.py │ │ └── utils.py │ ├── injective_flow.py │ ├── matrix_flatten.py │ ├── res_net.py │ └── utils.py ├── other_losses │ ├── __init__.py │ ├── exact_nll.py │ └── sample_nll.py ├── special │ ├── __init__.py │ └── fff_mol.py └── utils │ ├── __init__.py │ ├── func.py │ ├── geometry.py │ ├── manifolds.py │ ├── types.py │ └── utils.py ├── notebooks ├── FFF Boltzmann Generator Evaluation │ └── 2023-10-14 BG Evaluation.ipynb ├── FIF PythAE benchmark │ ├── Benchmark_final.ipynb │ ├── IS.py │ └── fid.py └── M-FFF │ ├── CircularSpline_Protein.ipynb │ └── Distribution on Circle for Figure 1.ipynb ├── requirements.txt ├── setup.py ├── test ├── test_configs.py ├── test_m_fff.py └── test_minimal.py └── toy-example.ipynb /.gitignore: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/vislearn/FFF/HEAD/.gitignore -------------------------------------------------------------------------------- /LICENSE: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/vislearn/FFF/HEAD/LICENSE -------------------------------------------------------------------------------- /README.md: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/vislearn/FFF/HEAD/README.md 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