LICENSE
README.md
pyproject.toml
src/neurosnap/__init__.py
src/neurosnap/_compat.py
src/neurosnap/api.py
src/neurosnap/log.py
src/neurosnap.egg-info/PKG-INFO
src/neurosnap.egg-info/SOURCES.txt
src/neurosnap.egg-info/dependency_links.txt
src/neurosnap.egg-info/requires.txt
src/neurosnap.egg-info/top_level.txt
src/neurosnap/algos/alphafold.py
src/neurosnap/algos/amber_relax.py
src/neurosnap/algos/clusterprot.py
src/neurosnap/algos/ec_interface.py
src/neurosnap/algos/evoef2.py
src/neurosnap/algos/ipsae.py
src/neurosnap/algos/kluster.py
src/neurosnap/algos/lddt.py
src/neurosnap/algos/pdb2pqr.py
src/neurosnap/algos/pdockq.py
src/neurosnap/algos/_pdb2pqr_vendor/UPSTREAM_LICENSE.txt
src/neurosnap/algos/_pdb2pqr_vendor/__init__.py
src/neurosnap/algos/_pdb2pqr_vendor/_version.py
src/neurosnap/algos/_pdb2pqr_vendor/aa.py
src/neurosnap/algos/_pdb2pqr_vendor/biomolecule.py
src/neurosnap/algos/_pdb2pqr_vendor/cells.py
src/neurosnap/algos/_pdb2pqr_vendor/config.py
src/neurosnap/algos/_pdb2pqr_vendor/debump.py
src/neurosnap/algos/_pdb2pqr_vendor/definitions.py
src/neurosnap/algos/_pdb2pqr_vendor/forcefield.py
src/neurosnap/algos/_pdb2pqr_vendor/io.py
src/neurosnap/algos/_pdb2pqr_vendor/na.py
src/neurosnap/algos/_pdb2pqr_vendor/pdb.py
src/neurosnap/algos/_pdb2pqr_vendor/quatfit.py
src/neurosnap/algos/_pdb2pqr_vendor/residue.py
src/neurosnap/algos/_pdb2pqr_vendor/structures.py
src/neurosnap/algos/_pdb2pqr_vendor/utilities.py
src/neurosnap/algos/_pdb2pqr_vendor/dat/__init__.py
src/neurosnap/algos/_pdb2pqr_vendor/dat/definitions_data.py
src/neurosnap/algos/_pdb2pqr_vendor/dat/forcefields_data.py
src/neurosnap/algos/_pdb2pqr_vendor/dat/hydrogens_data.py
src/neurosnap/algos/_pdb2pqr_vendor/dat/topology_data.py
src/neurosnap/algos/_pdb2pqr_vendor/hydrogens/__init__.py
src/neurosnap/algos/_pdb2pqr_vendor/hydrogens/io.py
src/neurosnap/algos/_pdb2pqr_vendor/hydrogens/optimize.py
src/neurosnap/algos/_pdb2pqr_vendor/hydrogens/structures.py
src/neurosnap/algos/evoef2_lib/aapropensity.npz
src/neurosnap/algos/evoef2_lib/charmm36_na_par.prm
src/neurosnap/algos/evoef2_lib/charmm36_na_top.rtf
src/neurosnap/algos/evoef2_lib/constants.py
src/neurosnap/algos/evoef2_lib/dun2010bb.lib
src/neurosnap/algos/evoef2_lib/dun2010bb1per.lib
src/neurosnap/algos/evoef2_lib/dun2010bb3per.lib
src/neurosnap/algos/evoef2_lib/param_charmm19_lk.prm
src/neurosnap/algos/evoef2_lib/param_charmm19_lk_ref2015.prm
src/neurosnap/algos/evoef2_lib/param_charmm22.prm
src/neurosnap/algos/evoef2_lib/ramachandran.npz
src/neurosnap/algos/evoef2_lib/top_all22_prot.inp
src/neurosnap/algos/evoef2_lib/top_polh19_prot.inp
src/neurosnap/algos/evoef2_lib/weights.py
src/neurosnap/algos/wolfpsort/__init__.py
src/neurosnap/algos/wolfpsort/_features.py
src/neurosnap/algos/wolfpsort/_model.py
src/neurosnap/algos/wolfpsort/wolfpsort.py
src/neurosnap/algos/wolfpsort/data/animal.training.csv
src/neurosnap/algos/wolfpsort/data/animal.utility.json
src/neurosnap/algos/wolfpsort/data/animal.weights.json
src/neurosnap/algos/wolfpsort/data/fungi.training.csv
src/neurosnap/algos/wolfpsort/data/fungi.utility.json
src/neurosnap/algos/wolfpsort/data/fungi.weights.json
src/neurosnap/algos/wolfpsort/data/plant.training.csv
src/neurosnap/algos/wolfpsort/data/plant.utility.json
src/neurosnap/algos/wolfpsort/data/plant.weights.json
src/neurosnap/algos/wolfpsort/motif_libraries/bacterialDnaBinding.json
src/neurosnap/algos/wolfpsort/motif_libraries/dnaBinding.json
src/neurosnap/algos/wolfpsort/motif_libraries/dnaBindingLessSpecific.json
src/neurosnap/algos/wolfpsort/motif_libraries/ribosomal.json
src/neurosnap/chemistry/__init__.py
src/neurosnap/chemistry/conformers.py
src/neurosnap/chemistry/geometry.py
src/neurosnap/chemistry/smiles.py
src/neurosnap/constants/__init__.py
src/neurosnap/constants/api.py
src/neurosnap/constants/chemistry.py
src/neurosnap/constants/sequence.py
src/neurosnap/constants/structure.py
src/neurosnap/database/__init__.py
src/neurosnap/database/blast.py
src/neurosnap/database/ccd.py
src/neurosnap/database/foldseek.py
src/neurosnap/database/uniprot.py
src/neurosnap/io/mmcif.py
src/neurosnap/io/pdb.py
src/neurosnap/io/pqr.py
src/neurosnap/io/sdf.py
src/neurosnap/sequence/__init__.py
src/neurosnap/sequence/align.py
src/neurosnap/sequence/nucleotide.py
src/neurosnap/sequence/protein.py
src/neurosnap/structure/__init__.py
src/neurosnap/structure/_common.py
src/neurosnap/structure/analysis.py
src/neurosnap/structure/compare.py
src/neurosnap/structure/filters.py
src/neurosnap/structure/interactions.py
src/neurosnap/structure/interface.py
src/neurosnap/structure/rendering.py
src/neurosnap/structure/selectors.py
src/neurosnap/structure/structure.py
tests/test_wolfpsort.py