LICENSE
README.md
pyproject.toml
diff_integrator/__init__.py
diff_integrator/loss.py
diff_integrator/optimizer.py
diff_integrator/schedules.py
diff_integrator.egg-info/PKG-INFO
diff_integrator.egg-info/SOURCES.txt
diff_integrator.egg-info/dependency_links.txt
diff_integrator.egg-info/requires.txt
diff_integrator.egg-info/top_level.txt
diff_integrator/terms/__init__.py
diff_integrator/terms/bond_geometry.py
diff_integrator/terms/chemical_shifts.py
diff_integrator/terms/chirality.py
diff_integrator/terms/geometry.py
diff_integrator/terms/nmr.py
diff_integrator/terms/noe.py
diff_integrator/terms/ramachandran.py
diff_integrator/terms/saxs.py
tests/test_annealing_integration.py
tests/test_bond_geometry.py
tests/test_chemical_shifts.py
tests/test_chirality.py
tests/test_e2e_nmr_science.py
tests/test_e2e_saxs_science.py
tests/test_geometry_loss.py
tests/test_loss.py
tests/test_nmr_loss.py
tests/test_noe_loss.py
tests/test_optimizer.py
tests/test_ramachandran_extras.py
tests/test_ramachandran_loss.py
tests/test_saxs_loss.py
tests/test_schedules.py