LICENSE
MANIFEST.in
README.md
pyproject.toml
setup.py
crimm_dock/DXGridUtil.py
crimm_dock/FFTDocker.py
crimm_dock/GridGenerator.py
crimm_dock/GridShapes.py
crimm_dock/__init__.py
crimm_dock.egg-info/PKG-INFO
crimm_dock.egg-info/SOURCES.txt
crimm_dock.egg-info/dependency_links.txt
crimm_dock.egg-info/requires.txt
crimm_dock.egg-info/top_level.txt
crimm_dock/Data/quaternion-1.npy
crimm_dock/Data/quaternion-2.npy
crimm_dock/Data/quaternion-3.npy
src/fft_docking/fft_correlate.c
src/fft_docking/fft_correlate.cu
src/fft_docking/fft_correlate.h
src/fft_docking/grid_gen.c
src/fft_docking/grid_gen.cu
src/fft_docking/grid_gen.h
src/fft_docking/lig_grid_gen.c
src/fft_docking/py_bindings.c
src/fft_docking/rank_poses.c
src/fft_docking/rank_poses.h
tests/test_argsort.py
tests/test_fft copy.py
tests/test_fft.py
tests/test_fft2.py
tests/test_fft3.py
tests/test_grid.py
tests/test_grid_simple.py
tests/test_lig_gen.py
tests/test_lig_gen2.py
tests/test_quats.py