CHANGELOG.md
CODE_OF_CONDUCT.rst
CONTRIBUTING.rst
LICENSE
MANIFEST.in
NOTICE
README.md
developer_guideline.md
setup.cfg
setup.py
deeprank/__init__.py
deeprank/__version__.py
deeprank.egg-info/PKG-INFO
deeprank.egg-info/SOURCES.txt
deeprank.egg-info/dependency_links.txt
deeprank.egg-info/requires.txt
deeprank.egg-info/top_level.txt
deeprank/config/__init__.py
deeprank/config/chemicals.py
deeprank/config/logger_settings.py
deeprank/features/AtomicFeature.py
deeprank/features/BSA.py
deeprank/features/FeatureClass.py
deeprank/features/FullPSSM.py
deeprank/features/PSSM_IC.py
deeprank/features/ResidueDensity.py
deeprank/features/__init__.py
deeprank/features/forcefield/patch.top
deeprank/features/forcefield/protein-allhdg5-4_new.param
deeprank/features/forcefield/protein-allhdg5-4_new.top
deeprank/generate/DataGenerator.py
deeprank/generate/GridTools.py
deeprank/generate/NormalizeData.py
deeprank/generate/__init__.py
deeprank/generate/kernel_map.c
deeprank/learn/DataSet.py
deeprank/learn/NeuralNet.py
deeprank/learn/__init__.py
deeprank/learn/classMetrics.py
deeprank/learn/metaqnn.py
deeprank/learn/model2d.py
deeprank/learn/model3d.py
deeprank/learn/modelGenerator.py
deeprank/learn/rankingMetrics.py
deeprank/targets/__init__.py
deeprank/targets/binary_class.py
deeprank/targets/capri_class.py
deeprank/targets/dockQ.py
deeprank/targets/rmsd_fnat.py
deeprank/tools/__init__.py
deeprank/tools/sasa.py
deeprank/tools/sparse.py
deeprank/utils/logger_helper.py
test/test_atomic_features.py
test/test_generate.py
test/test_generate_cuda.py
test/test_learn.py
test/test_tools.py
test/1AK4/atomic_features/1AK4_100w.pdb
test/1AK4/atomic_features/ref_1AK4_100w.dat
test/1AK4/atomic_features/test_1AK4_100w.dat
test/1AK4/decoys/1AK4_cm-it0_745.pdb
test/1AK4/decoys/1AK4_cm-itw_238w.pdb
test/1AK4/decoys/1AK4_ranair-it0_5257.pdb
test/1AK4/decoys/1AK4_ti5-itw_212w.pdb
test/1AK4/decoys/1AK4_ti5-itw_312w.pdb
test/1AK4/haddock_data/1AK4.Fnat
test/1AK4/haddock_data/1AK4.irmsd
test/1AK4/haddock_data/1AK4.lrmsd
test/1AK4/native/1AK4.pdb
test/1AK4/pssm/1AK4.PSSM
test/1AK4/pssm_new/1AK4.C.pssm
test/1AK4/pssm_new/1AK4.D.pssm
test/1AK4/pssm_new/1AK4_cm-it0_745.C.pssm
test/1AK4/pssm_new/1AK4_cm-it0_745.D.pssm
test/1AK4/pssm_new/1AK4_cm-itw_238w.C.pssm
test/1AK4/pssm_new/1AK4_cm-itw_238w.D.pssm
test/1AK4/pssm_new/1AK4_ranair-it0_5257.C.pssm
test/1AK4/pssm_new/1AK4_ranair-it0_5257.D.pssm
test/1AK4/pssm_new/1AK4_ti5-itw_212w.C.pssm
test/1AK4/pssm_new/1AK4_ti5-itw_212w.D.pssm
test/1AK4/pssm_new/1AK4_ti5-itw_312w.C.pssm
test/1AK4/pssm_new/1AK4_ti5-itw_312w.D.pssm