LICENSE
MANIFEST.in
README.md
pyproject.toml
setup.cfg
setup.py
docs/Makefile
docs/authors.md
docs/conf.py
docs/installation.md
docs/make.bat
docs/readme.md
docs/usage.md
docs/figures/generated/figure-1.png
docs/figures/generated/figure-2.png
docs/figures/generated/figure-s1.png
docs/figures/generated/figure-s2.png
docs/figures/images/06_validate_model/corrs-test-core.png
docs/figures/images/06_validate_model/corrs-test-interface.png
docs/figures/images/06_validate_model/corrs-xval-core.png
docs/figures/images/06_validate_model/corrs-xval-interface.png
docs/figures/images/06_validate_model/feature-elimination-core.png
docs/figures/images/06_validate_model/feature-elimination-interface.png
docs/figures/images/07_benchmarks/corrs-test-core.png
docs/figures/images/08_mechismo_dunham_2020/dunham-2020-mechismo-with-ie.png
docs/figures/images/08_mechismo_dunham_2020/dunham-2020-mechismo.png
docs/figures/images/99_lightgbm_example/input-data.png
docs/figures/images/99_lightgbm_example/lambdarank-fit.png
docs/figures/images/99_lightgbm_example/regression-fit.png
docs/figures/static/rbd-ace2.png
docs/figures/static/rest-api-code-demo.png
docs/figures/static/spike-closed.png
docs/images/06_validate_model/corrs-test-core.png
docs/images/06_validate_model/corrs-test-interface.png
docs/images/06_validate_model/corrs-xval-core.png
docs/images/06_validate_model/corrs-xval-interface.png
docs/images/06_validate_model/feature-elimination-core.png
docs/images/06_validate_model/feature-elimination-interface.png
docs/images/07_benchmarks/corrs-test-core.png
docs/images/08_mechismo_dunham_2020/dunham-2020-mechismo-with-ie.png
docs/images/08_mechismo_dunham_2020/dunham-2020-mechismo.png
docs/images/99_lightgbm_example/input-data.png
docs/images/99_lightgbm_example/lambdarank-fit.png
docs/images/99_lightgbm_example/regression-fit.png
docs/static/rbd-ace2.png
docs/static/rest-api-code-demo.png
docs/static/spike-closed.png
src/elaspic2/__init__.py
src/elaspic2/__main__.py
src/elaspic2/elaspic2.py
src/elaspic2/types.py
src/elaspic2/utils.py
src/elaspic2.egg-info/PKG-INFO
src/elaspic2.egg-info/SOURCES.txt
src/elaspic2.egg-info/dependency_links.txt
src/elaspic2.egg-info/not-zip-safe
src/elaspic2.egg-info/requires.txt
src/elaspic2.egg-info/top_level.txt
src/elaspic2/core/__init__.py
src/elaspic2/core/interface.py
src/elaspic2/core/utils.py
src/elaspic2/data/__init__.py
src/elaspic2/plugins/__init__.py
src/elaspic2/plugins/modeller/__init__.py
src/elaspic2/plugins/modeller/functions.py
src/elaspic2/plugins/modeller/modeller.py
src/elaspic2/plugins/modeller/types.py
src/elaspic2/plugins/protbert/__init__.py
src/elaspic2/plugins/protbert/protbert.py
src/elaspic2/plugins/protbert/types.py
src/elaspic2/plugins/protbert/data/__init__.py
src/elaspic2/plugins/proteinsolver/__init__.py
src/elaspic2/plugins/proteinsolver/protein_data.py
src/elaspic2/plugins/proteinsolver/proteinsolver.py
src/elaspic2/plugins/proteinsolver/types.py
src/elaspic2/plugins/proteinsolver/data/__init__.py
src/elaspic2/plugins/proteinsolver/data/ps_191f05de/__init__.py
src/elaspic2/plugins/proteinsolver/data/ps_191f05de/model.py
src/elaspic2/plugins/rosetta_ddg/__init__.py
src/elaspic2/plugins/rosetta_ddg/functions.py
src/elaspic2/plugins/rosetta_ddg/rosetta_ddg.py
src/elaspic2/plugins/rosetta_ddg/types.py
tests/core/test_types.py
tests/core/test_utils.py
tests/plugins/modeller/test_functions.py
tests/plugins/modeller/test_modeller.py
tests/plugins/modeller/test_modeller.yaml
tests/plugins/modeller/structures/1v1f.cif
tests/plugins/modeller/structures/1v1g.cif
tests/plugins/modeller/structures/1yf4.cif
tests/plugins/modeller/structures/1yf4b.pdb
tests/plugins/modeller/structures/1yrp.cif
tests/plugins/modeller/structures/2o2z.cif
tests/plugins/modeller/structures/2p1p.cif
tests/plugins/modeller/structures/3ppz.cif
tests/plugins/modeller/structures/4czt.cif
tests/plugins/modeller/structures/4dkl.cif
tests/plugins/modeller/structures/4our.cif
tests/plugins/modeller/structures/5vhf.cif
tests/plugins/modeller/structures/5vhi.cif
tests/plugins/modeller/structures/5xjc-processed.pdb
tests/plugins/modeller/structures/5xjc.cif
tests/plugins/rosetta_ddg/test_functions.py
tests/plugins/rosetta_ddg/test_rosetta_ddg.py
tests/plugins/rosetta_ddg/cartesian_ddg/D14G.ddg
tests/plugins/rosetta_ddg/cartesian_ddg/Y438A.ddg
tests/plugins/rosetta_ddg/ddg_monomer/ddg_predictions-1t7h-B_S22Y.out.interface
tests/plugins/rosetta_ddg/ddg_monomer/ddg_predictions-D14G.out
tests/plugins/rosetta_ddg/results/0/RosettaDDG/D14G.txt
tests/plugins/rosetta_ddg/results/0/RosettaDDG/README.md
tests/plugins/rosetta_ddg/results/0/RosettaDDG/mut_D15G.out
tests/plugins/rosetta_ddg/results/0/RosettaDDG/mutant_trajD15G
tests/plugins/rosetta_ddg/results/0/RosettaDDG/structure.pdb
tests/plugins/rosetta_ddg/results/0/RosettaDDG/wt_D15G.out
tests/plugins/rosetta_ddg/results/0/RosettaDDG/wt_traj
tests/plugins/rosetta_ddg/results/1/RosettaDDG/D14G.txt
tests/plugins/rosetta_ddg/results/1/RosettaDDG/README.md
tests/plugins/rosetta_ddg/results/1/RosettaDDG/info.md
tests/plugins/rosetta_ddg/results/1/RosettaDDG/structure.pdb
tests/plugins/rosetta_ddg/results/2/1BJ1.pdb
tests/plugins/rosetta_ddg/results/2/V_Y439A/MUT_439ALA_aj1.pdb
tests/plugins/rosetta_ddg/results/2/V_Y439A/MUT_439ALA_bj1.pdb
tests/plugins/rosetta_ddg/results/2/V_Y439A/WT_aj1.pdb
tests/plugins/rosetta_ddg/results/2/V_Y439A/WT_bj1.pdb
tests/plugins/rosetta_ddg/results/2/V_Y439A/Y438A.txt
tests/plugins/rosetta_ddg/structures/1BJ1.pdb
tests/plugins/rosetta_ddg/structures/1SBN.pdb
tests/plugins/rosetta_ddg/structures/1ekg.cif
tests/plugins/rosetta_ddg/structures/1t7h.cif
tests/plugins/rosetta_ddg/structures/1t7hb.pdb
tests/plugins/rosetta_ddg/structures/1yf4.cif
tests/plugins/rosetta_ddg/structures/1yf4b.pdb
tests/plugins/rosetta_ddg/structures/2JEL.pdb
tests/structures/1MFG.pdb