.gitignore
.readthedocs.yaml
AUTHORS.md
CITATION.bib
LICENSE
README.md
pyproject.toml
setup.cfg
setup.py
docs/Makefile
docs/README.md
docs/about.rst
docs/api.rst
docs/conf.py
docs/getting_started.rst
docs/index.rst
docs/make.bat
docs/requirements.txt
docs/_static/README.md
docs/_static/custom.css
docs/_static/mdance.png
docs/img/2k2e.png
docs/img/methods.jpg
docs/tutorials/nani.rst
docs/tutorials/prime.rst
examples/README.txt
examples/analysis_db.py
examples/nani101.py
examples/postprocessing.py
examples/preprocessing.py
scripts/inputs/normalize.py
scripts/inputs/preprocessing.ipynb
scripts/nani/analysis_db.ipynb
scripts/nani/assign_labels.py
scripts/nani/screen_nani.py
scripts/nani/outputs/10comp_sim_summary.csv
scripts/nani/outputs/best_frames_indices_6.csv
scripts/nani/outputs/labels_6.csv
scripts/nani/outputs/summary_6.csv
scripts/outputs/postprocessing.ipynb
scripts/prime/exec_rep_frames.py
scripts/prime/exec_similarity.py
scripts/prime/normalize.py
src/MDANCE.egg-info/PKG-INFO
src/MDANCE.egg-info/SOURCES.txt
src/MDANCE.egg-info/dependency_links.txt
src/MDANCE.egg-info/entry_points.txt
src/MDANCE.egg-info/requires.txt
src/MDANCE.egg-info/top_level.txt
src/mdance/__init__.py
src/mdance/_version.py
src/mdance/cli/__init__.py
src/mdance/cli/prime_rep.py
src/mdance/cli/prime_sim.py
src/mdance/cluster/__init__.py
src/mdance/cluster/divine.py
src/mdance/cluster/equal.py
src/mdance/cluster/helm.py
src/mdance/cluster/nani.py
src/mdance/cluster/shine.py
src/mdance/data/README.rst
src/mdance/data/__init__.py
src/mdance/data/aligned_1000_tau.dcd
src/mdance/data/aligned_original_tau_6K.dcd
src/mdance/data/aligned_tau.pdb
src/mdance/data/backbone.npy
src/mdance/data/blob_disk.csv
src/mdance/data/cc_sim.npy
src/mdance/data/diamond9.csv
src/mdance/data/ellipses.csv
src/mdance/data/labels_6.csv
src/mdance/data/labels_60.csv
src/mdance/data/labels_6_strat_all.csv
src/mdance/data/labels_6_strat_reduced.csv
src/mdance/data/trimmed_sim.npy
src/mdance/inputs/__init__.py
src/mdance/inputs/preprocess.py
src/mdance/outputs/__init__.py
src/mdance/outputs/postprocess.py
src/mdance/prime/__init__.py
src/mdance/prime/rep_frames.py
src/mdance/prime/sim_calc.py
src/mdance/tools/__init__.py
src/mdance/tools/bts.py
src/mdance/tools/esim.py
src/mdance/tools/isim.py
tests/test_bts.py
tests/test_db.py
tests/test_divine.py
tests/test_equal.py
tests/test_esim.py
tests/test_helm.py
tests/test_nani.py
tests/test_preprocess.py
tests/test_shine.py
tutorials/nani.md
tutorials/prime.md