CODE_OF_CONDUCT.md
LICENSE
MANIFEST.in
README.md
pyproject.toml
setup.cfg
mlcolvar/.gitignore
mlcolvar/__init__.py
mlcolvar/_version.py
mlcolvar/py.typed
mlcolvar.egg-info/PKG-INFO
mlcolvar.egg-info/SOURCES.txt
mlcolvar.egg-info/dependency_links.txt
mlcolvar.egg-info/not-zip-safe
mlcolvar.egg-info/requires.txt
mlcolvar.egg-info/top_level.txt
mlcolvar/core/__init__.py
mlcolvar/core/loss/__init__.py
mlcolvar/core/loss/autocorrelation.py
mlcolvar/core/loss/eigvals.py
mlcolvar/core/loss/elbo.py
mlcolvar/core/loss/fisher.py
mlcolvar/core/loss/mse.py
mlcolvar/core/loss/tda_loss.py
mlcolvar/core/nn/__init__.py
mlcolvar/core/nn/feedforward.py
mlcolvar/core/nn/utils.py
mlcolvar/core/stats/__init__.py
mlcolvar/core/stats/lda.py
mlcolvar/core/stats/pca.py
mlcolvar/core/stats/stats.py
mlcolvar/core/stats/tica.py
mlcolvar/core/stats/utils.py
mlcolvar/core/transform/__init__.py
mlcolvar/core/transform/normalization.py
mlcolvar/core/transform/transform.py
mlcolvar/core/transform/utils.py
mlcolvar/cvs/__init__.py
mlcolvar/cvs/cv.py
mlcolvar/cvs/multitask/__init__.py
mlcolvar/cvs/multitask/multitask.py
mlcolvar/cvs/supervised/__init__.py
mlcolvar/cvs/supervised/deeplda.py
mlcolvar/cvs/supervised/deeptda.py
mlcolvar/cvs/supervised/regression.py
mlcolvar/cvs/timelagged/__init__.py
mlcolvar/cvs/timelagged/deeptica.py
mlcolvar/cvs/unsupervised/__init__.py
mlcolvar/cvs/unsupervised/autoencoder.py
mlcolvar/cvs/unsupervised/vae.py
mlcolvar/data/__init__.py
mlcolvar/data/dataloader.py
mlcolvar/data/datamodule.py
mlcolvar/data/dataset.py
mlcolvar/tests/test_core_nn_feedforward.py
mlcolvar/tests/test_core_stats_lda.py
mlcolvar/tests/test_core_stats_pca.py
mlcolvar/tests/test_core_stats_tica.py
mlcolvar/tests/test_core_transform_normalization.py
mlcolvar/tests/test_core_transform_utils.py
mlcolvar/tests/test_cvs.py
mlcolvar/tests/test_cvs_multitask_multitask.py
mlcolvar/tests/test_cvs_slowmodes_deeptica.py
mlcolvar/tests/test_cvs_supervised_deeplda.py
mlcolvar/tests/test_cvs_supervised_regression.py
mlcolvar/tests/test_cvs_supervised_tda.py
mlcolvar/tests/test_cvs_unsupervised_autoencoder.py
mlcolvar/tests/test_cvs_unsupervised_vae.py
mlcolvar/tests/test_utils_data_dataloader.py
mlcolvar/tests/test_utils_data_datamodule.py
mlcolvar/tests/test_utils_data_dataset.py
mlcolvar/tests/test_utils_data_timelagged.py
mlcolvar/tests/test_utils_explain.py
mlcolvar/tests/test_utils_fes.py
mlcolvar/tests/test_utils_io.py
mlcolvar/tests/test_utils_plot.py
mlcolvar/tests/test_utils_trainer.py
mlcolvar/tests/data/mb-mcmc.dat
mlcolvar/tests/data/state_A.dat
mlcolvar/tests/data/state_B.dat
mlcolvar/tests/data/state_C.dat
mlcolvar/utils/__init__.py
mlcolvar/utils/explain.py
mlcolvar/utils/fes.py
mlcolvar/utils/io.py
mlcolvar/utils/plot.py
mlcolvar/utils/timelagged.py
mlcolvar/utils/trainer.py