LICENSE
LICENSE_MIT
README.md
THIRD_PARTY_NOTICES.md
download_model.py
pyproject.toml
tests/test_download_unipka_model.py
tests/test_paths.py
tests/test_unipka_free_energy.py
tests/test_unipka_integration.py
unipkainfer/__init__.py
unipkainfer/paths.py
unipkainfer.egg-info/PKG-INFO
unipkainfer.egg-info/SOURCES.txt
unipkainfer.egg-info/dependency_links.txt
unipkainfer.egg-info/entry_points.txt
unipkainfer.egg-info/requires.txt
unipkainfer.egg-info/top_level.txt
unipkainfer/pka_predictor/__init__.py
unipkainfer/pka_predictor/api.py
unipkainfer/pka_predictor/free_energy.py
unipkainfer/scripts/__init__.py
unipkainfer/scripts/preprocess_pka.py
unipkainfer/unicoreinfer/LICENSE
unipkainfer/unicoreinfer/UPSTREAM.md
unipkainfer/unicoreinfer/__init__.py
unipkainfer/unicoreinfer/checkpoint_utils.py
unipkainfer/unicoreinfer/options.py
unipkainfer/unicoreinfer/registry.py
unipkainfer/unicoreinfer/utils.py
unipkainfer/unicoreinfer/version.py
unipkainfer/unicoreinfer/version.txt
unipkainfer/unicoreinfer/data/__init__.py
unipkainfer/unicoreinfer/data/append_token_dataset.py
unipkainfer/unicoreinfer/data/base_wrapper_dataset.py
unipkainfer/unicoreinfer/data/data_utils.py
unipkainfer/unicoreinfer/data/dictionary.py
unipkainfer/unicoreinfer/data/from_numpy_dataset.py
unipkainfer/unicoreinfer/data/iterators.py
unipkainfer/unicoreinfer/data/lmdb_dataset.py
unipkainfer/unicoreinfer/data/lru_cache_dataset.py
unipkainfer/unicoreinfer/data/mask_tokens_dataset.py
unipkainfer/unicoreinfer/data/nested_dictionary_dataset.py
unipkainfer/unicoreinfer/data/num_samples_dataset.py
unipkainfer/unicoreinfer/data/numel_dataset.py
unipkainfer/unicoreinfer/data/pad_dataset.py
unipkainfer/unicoreinfer/data/prepend_token_dataset.py
unipkainfer/unicoreinfer/data/raw_dataset.py
unipkainfer/unicoreinfer/data/sort_dataset.py
unipkainfer/unicoreinfer/data/tokenize_dataset.py
unipkainfer/unicoreinfer/data/unicore_dataset.py
unipkainfer/unicoreinfer/distributed/__init__.py
unipkainfer/unicoreinfer/distributed/legacy_distributed_data_parallel.py
unipkainfer/unicoreinfer/distributed/module_proxy_wrapper.py
unipkainfer/unicoreinfer/distributed/utils.py
unipkainfer/unicoreinfer/logging/__init__.py
unipkainfer/unicoreinfer/logging/meters.py
unipkainfer/unicoreinfer/logging/metrics.py
unipkainfer/unicoreinfer/logging/progress_bar.py
unipkainfer/unicoreinfer/losses/__init__.py
unipkainfer/unicoreinfer/losses/cross_entropy.py
unipkainfer/unicoreinfer/losses/masked_lm.py
unipkainfer/unicoreinfer/losses/unicore_loss.py
unipkainfer/unicoreinfer/models/__init__.py
unipkainfer/unicoreinfer/models/distributed_unicore_model.py
unipkainfer/unicoreinfer/models/unicore_model.py
unipkainfer/unicoreinfer/modules/__init__.py
unipkainfer/unicoreinfer/modules/layer_norm.py
unipkainfer/unicoreinfer/modules/multihead_attention.py
unipkainfer/unicoreinfer/modules/rms_norm.py
unipkainfer/unicoreinfer/modules/softmax_dropout.py
unipkainfer/unicoreinfer/modules/transformer_decoder.py
unipkainfer/unicoreinfer/modules/transformer_decoder_layer.py
unipkainfer/unicoreinfer/modules/transformer_encoder.py
unipkainfer/unicoreinfer/modules/transformer_encoder_layer.py
unipkainfer/unicoreinfer/tasks/__init__.py
unipkainfer/unicoreinfer/tasks/unicore_task.py
unipkainfer/unimol/__init__.py
unipkainfer/unimol/infer.py
unipkainfer/unimol/data/__init__.py
unipkainfer/unimol/data/conformer_sample_dataset.py
unipkainfer/unimol/data/coord_pad_dataset.py
unipkainfer/unimol/data/cropping_dataset.py
unipkainfer/unimol/data/data_utils.py
unipkainfer/unimol/data/distance_dataset.py
unipkainfer/unimol/data/key_dataset.py
unipkainfer/unimol/data/lmdb_dataset.py
unipkainfer/unimol/data/mask_points_dataset.py
unipkainfer/unimol/data/normalize_dataset.py
unipkainfer/unimol/data/pka_input_dataset.py
unipkainfer/unimol/data/remove_hydrogen_dataset.py
unipkainfer/unimol/data/tta_dataset.py
unipkainfer/unimol/examples/dict.txt
unipkainfer/unimol/examples/dict_charge.txt
unipkainfer/unimol/losses/__init__.py
unipkainfer/unimol/losses/mlm_loss.py
unipkainfer/unimol/losses/reg_loss.py
unipkainfer/unimol/models/__init__.py
unipkainfer/unimol/models/transformer_encoder_with_pair.py
unipkainfer/unimol/models/unimol.py
unipkainfer/unimol/models/unimol_pka.py
unipkainfer/unimol/tasks/__init__.py
unipkainfer/unimol/tasks/unimol_free_energy.py
unipkainfer/unimol/tasks/unimol_mlm.py
unipkainfer/unimol/tasks/unimol_pka.py