CITATION.cff
LICENSE
MANIFEST.in
NOTICE
README.md
pyproject.toml
deeprank2/__init__.py
deeprank2/dataset.py
deeprank2/query.py
deeprank2/trainer.py
deeprank2.egg-info/PKG-INFO
deeprank2.egg-info/SOURCES.txt
deeprank2.egg-info/dependency_links.txt
deeprank2.egg-info/requires.txt
deeprank2.egg-info/top_level.txt
deeprank2/domain/__init__.py
deeprank2/domain/aminoacid_summary.xlsx
deeprank2/domain/aminoacidlist.py
deeprank2/domain/edgestorage.py
deeprank2/domain/gridstorage.py
deeprank2/domain/losstypes.py
deeprank2/domain/nodestorage.py
deeprank2/domain/targetstorage.py
deeprank2/domain/forcefield/__init__.py
deeprank2/domain/forcefield/patch.top
deeprank2/domain/forcefield/protein-allhdg5-4_new.param
deeprank2/domain/forcefield/protein-allhdg5-5_new.top
deeprank2/domain/forcefield/residue-classes
deeprank2/features/__init__.py
deeprank2/features/components.py
deeprank2/features/conservation.py
deeprank2/features/contact.py
deeprank2/features/exposure.py
deeprank2/features/irc.py
deeprank2/features/secondary_structure.py
deeprank2/features/surfacearea.py
deeprank2/molstruct/__init__.py
deeprank2/molstruct/aminoacid.py
deeprank2/molstruct/atom.py
deeprank2/molstruct/pair.py
deeprank2/molstruct/residue.py
deeprank2/molstruct/structure.py
deeprank2/neuralnets/__init__.py
deeprank2/neuralnets/cnn/__init__.py
deeprank2/neuralnets/cnn/model3d.py
deeprank2/neuralnets/gnn/__init__.py
deeprank2/neuralnets/gnn/alignmentnet.py
deeprank2/neuralnets/gnn/foutnet.py
deeprank2/neuralnets/gnn/ginet.py
deeprank2/neuralnets/gnn/ginet_nocluster.py
deeprank2/neuralnets/gnn/naive_gnn.py
deeprank2/neuralnets/gnn/sgat.py
deeprank2/tools/__init__.py
deeprank2/tools/target.py
deeprank2/utils/__init__.py
deeprank2/utils/buildgraph.py
deeprank2/utils/community_pooling.py
deeprank2/utils/earlystopping.py
deeprank2/utils/exporters.py
deeprank2/utils/graph.py
deeprank2/utils/grid.py
deeprank2/utils/pssmdata.py
deeprank2/utils/parsing/__init__.py
deeprank2/utils/parsing/patch.py
deeprank2/utils/parsing/pssm.py
deeprank2/utils/parsing/residue.py
deeprank2/utils/parsing/top.py
deeprank2/utils/parsing/vdwparam.py
env/deeprank2.yml