LICENSE
README.md
setup.py
gldm/__init__.py
gldm/distribution_learning.py
gldm/main.py
gldm/sample_MoLeR.py
gldm.egg-info/PKG-INFO
gldm.egg-info/SOURCES.txt
gldm.egg-info/dependency_links.txt
gldm.egg-info/requires.txt
gldm.egg-info/top_level.txt
gldm/autoencoder/__init__.py
gldm/autoencoder/aae.py
gldm/autoencoder/dataset.py
gldm/autoencoder/decoder.py
gldm/autoencoder/decoding_utils.py
gldm/autoencoder/encoder.py
gldm/autoencoder/model.py
gldm/autoencoder/model_utils.py
gldm/autoencoder/train_guacamol.py
gldm/autoencoder/train_l1000.py
gldm/autoencoder/utils.py
gldm/latent_diffusion/DDIM.py
gldm/latent_diffusion/__init__.py
gldm/latent_diffusion/evaluate_ldm_l1000_metrics.py
gldm/latent_diffusion/evaluation_utils.py
gldm/latent_diffusion/l1000_evaluation_utils.py
gldm/latent_diffusion/moler_ldm.py
gldm/latent_diffusion/sample_GLDM.py
gldm/latent_diffusion/train_ldm_guacamol.py
gldm/latent_diffusion/train_ldm_l1000.py
gldm/latent_diffusion/ldm/__init__.py
gldm/latent_diffusion/ldm/lr_scheduler.py
gldm/latent_diffusion/ldm/util.py
gldm/latent_diffusion/ldm/data/__init__.py
gldm/latent_diffusion/ldm/data/base.py
gldm/latent_diffusion/ldm/data/imagenet.py
gldm/latent_diffusion/ldm/data/lsun.py
gldm/latent_diffusion/ldm/models/__init__.py
gldm/latent_diffusion/ldm/models/autoencoder.py
gldm/latent_diffusion/ldm/models/diffusion/__init__.py
gldm/latent_diffusion/ldm/models/diffusion/classifier.py
gldm/latent_diffusion/ldm/models/diffusion/ddim.py
gldm/latent_diffusion/ldm/models/diffusion/ddpm.py
gldm/latent_diffusion/ldm/models/diffusion/plms.py
gldm/latent_diffusion/ldm/modules/__init__.py
gldm/latent_diffusion/ldm/modules/attention.py
gldm/latent_diffusion/ldm/modules/ema.py
gldm/latent_diffusion/ldm/modules/x_transformer.py
gldm/latent_diffusion/ldm/modules/diffusionmodules/__init__.py
gldm/latent_diffusion/ldm/modules/diffusionmodules/model.py
gldm/latent_diffusion/ldm/modules/diffusionmodules/openaimodel.py
gldm/latent_diffusion/ldm/modules/diffusionmodules/util.py
gldm/latent_diffusion/ldm/modules/distributions/__init__.py
gldm/latent_diffusion/ldm/modules/distributions/distributions.py
gldm/latent_diffusion/ldm/modules/encoders/__init__.py
gldm/latent_diffusion/ldm/modules/encoders/modules.py
gldm/latent_diffusion/ldm/modules/image_degradation/__init__.py
gldm/latent_diffusion/ldm/modules/image_degradation/bsrgan.py
gldm/latent_diffusion/ldm/modules/image_degradation/bsrgan_light.py
gldm/latent_diffusion/ldm/modules/image_degradation/utils_image.py
gldm/latent_diffusion/ldm/modules/losses/__init__.py
gldm/latent_diffusion/ldm/modules/losses/contperceptual.py
gldm/latent_diffusion/ldm/modules/losses/vqperceptual.py
gldm/moler_reference/__init__.py
gldm/moler_reference/setup.py
gldm/moler_reference/molecule_generation/__init__.py
gldm/moler_reference/molecule_generation/version.py
gldm/moler_reference/molecule_generation/wrapper.py
gldm/moler_reference/molecule_generation/chem/__init__.py
gldm/moler_reference/molecule_generation/chem/atom_feature_utils.py
gldm/moler_reference/molecule_generation/chem/molecule_dataset_utils.py
gldm/moler_reference/molecule_generation/chem/motif_utils.py
gldm/moler_reference/molecule_generation/chem/rdkit_helpers.py
gldm/moler_reference/molecule_generation/chem/topology_features.py
gldm/moler_reference/molecule_generation/chem/valence_constraints.py
gldm/moler_reference/molecule_generation/cli/__init__.py
gldm/moler_reference/molecule_generation/cli/cli.py
gldm/moler_reference/molecule_generation/cli/encode.py
gldm/moler_reference/molecule_generation/cli/preprocess.py
gldm/moler_reference/molecule_generation/cli/sample.py
gldm/moler_reference/molecule_generation/cli/train.py
gldm/moler_reference/molecule_generation/cli/visualise.py
gldm/moler_reference/molecule_generation/dataset/__init__.py
gldm/moler_reference/molecule_generation/dataset/in_memory_trace_dataset.py
gldm/moler_reference/molecule_generation/dataset/jsonl_abstract_trace_dataset.py
gldm/moler_reference/molecule_generation/dataset/jsonl_cgvae_trace_dataset.py
gldm/moler_reference/molecule_generation/dataset/jsonl_graph_properties_dataset.py
gldm/moler_reference/molecule_generation/dataset/jsonl_moler_trace_dataset.py
gldm/moler_reference/molecule_generation/dataset/trace_dataset.py
gldm/moler_reference/molecule_generation/dataset/trace_sample.py
gldm/moler_reference/molecule_generation/layers/__init__.py
gldm/moler_reference/molecule_generation/layers/cgvae_decoder.py
gldm/moler_reference/molecule_generation/layers/graph_property_predictor.py
gldm/moler_reference/molecule_generation/layers/moler_decoder.py
gldm/moler_reference/molecule_generation/models/__init__.py
gldm/moler_reference/molecule_generation/models/cgvae.py
gldm/moler_reference/molecule_generation/models/moler_base_model.py
gldm/moler_reference/molecule_generation/models/moler_generator.py
gldm/moler_reference/molecule_generation/models/moler_vae.py
gldm/moler_reference/molecule_generation/preprocessing/__init__.py
gldm/moler_reference/molecule_generation/preprocessing/cgvae_generation_trace.py
gldm/moler_reference/molecule_generation/preprocessing/data_conversion_utils.py
gldm/moler_reference/molecule_generation/preprocessing/generation_order.py
gldm/moler_reference/molecule_generation/preprocessing/graph_sample.py
gldm/moler_reference/molecule_generation/preprocessing/moler_generation_trace.py
gldm/moler_reference/molecule_generation/preprocessing/preprocess.py
gldm/moler_reference/molecule_generation/test/__init__.py
gldm/moler_reference/molecule_generation/test/conftest.py
gldm/moler_reference/molecule_generation/test/test_datasets/__init__.py
gldm/moler_reference/molecule_generation/test/test_datasets/generate_test_dataset.py
gldm/moler_reference/molecule_generation/utils/__init__.py
gldm/moler_reference/molecule_generation/utils/beam_utils.py
gldm/moler_reference/molecule_generation/utils/cgvae_visualisation_utils.py
gldm/moler_reference/molecule_generation/utils/cli_utils.py
gldm/moler_reference/molecule_generation/utils/data_utils.py
gldm/moler_reference/molecule_generation/utils/decoder_batching.py
gldm/moler_reference/molecule_generation/utils/epoch_metrics_logger.py
gldm/moler_reference/molecule_generation/utils/model_utils.py
gldm/moler_reference/molecule_generation/utils/moler_decoding_utils.py
gldm/moler_reference/molecule_generation/utils/moler_inference_server.py
gldm/moler_reference/molecule_generation/utils/moler_visualisation_utils.py
gldm/moler_reference/molecule_generation/utils/multiprocessing_utils.py
gldm/moler_reference/molecule_generation/utils/preprocessing_utils.py
gldm/moler_reference/molecule_generation/utils/property_models.py
gldm/moler_reference/molecule_generation/utils/sequential_worker_pool.py
gldm/moler_reference/molecule_generation/utils/sharded_data_reader.py
gldm/moler_reference/molecule_generation/utils/training_utils.py
gldm/moler_reference/molecule_generation/visualisation/__init__.py
gldm/moler_reference/molecule_generation/visualisation/cgvae_visualiser_cli.py
gldm/moler_reference/molecule_generation/visualisation/cgvae_visualiser_html.py
gldm/moler_reference/molecule_generation/visualisation/moler_visualiser_cli.py
gldm/moler_reference/molecule_generation/visualisation/moler_visualiser_html.py