LICENSE
README.md
pyproject.toml
src/neurosnap/__init__.py
src/neurosnap/api.py
src/neurosnap/chemicals.py
src/neurosnap/conformers.py
src/neurosnap/constants.py
src/neurosnap/log.py
src/neurosnap/msa.py
src/neurosnap/nucleotide.py
src/neurosnap/protein.py
src/neurosnap/rendering.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/pdockq.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
tests/test_chemicals.py
tests/test_clusterprot.py
tests/test_conformers.py
tests/test_ec_interface.py
tests/test_evoef2.py
tests/test_ipsae.py
tests/test_kluster.py
tests/test_lddt.py
tests/test_msa.py
tests/test_nucleotide.py
tests/test_pdockq.py
tests/test_protein.py
tests/test_rendering.py
tests/test_tmp.py