CMakeLists.txt
LICENSE
MANIFEST.in
README.md
pyproject.toml
setup.py
roshambo2/__init__.py
roshambo2/classes.py
roshambo2/client.py
roshambo2/pharmacophore.py
roshambo2/prepare.py
roshambo2/roshambo2.py
roshambo2/utils.py
roshambo2.egg-info/PKG-INFO
roshambo2.egg-info/SOURCES.txt
roshambo2.egg-info/dependency_links.txt
roshambo2.egg-info/requires.txt
roshambo2.egg-info/top_level.txt
roshambo2/backends/__init__.py
roshambo2/backends/_pytorch_backend.py
roshambo2/backends/cpp_backend.py
roshambo2/backends/cuda_backend.py
roshambo2/backends/cpp_src/cpp_functions.cpp
roshambo2/backends/cuda_src/cuda_functions.cu
roshambo2/backends/cuda_src/cuda_functions.cuh
roshambo2/backends/cuda_src/cuda_interface.cpp
roshambo2/scripts/__init__.py
roshambo2/scripts/prepare_dataset_from_sdf.py
roshambo2/scripts/roshambo2_server_app.py
test/test_backends.py
test/test_best_fit_output.py
test/test_combine.py
test/test_large.py
test/test_multi_gpu.py
test/test_prepare.py
test/test_qname.py
test/test_rdkit_integration.py
test/test_roshambo2.py
test/test_start_modes.py