README.md
pyproject.toml
mlxmolkit/__init__.py
mlxmolkit/butina.py
mlxmolkit/butina_metal.py
mlxmolkit/conformer_metal.py
mlxmolkit/conformer_pipeline_v2.py
mlxmolkit/dg_extract.py
mlxmolkit/etk_extract.py
mlxmolkit/etk_metal.py
mlxmolkit/fp_uint32.py
mlxmolkit/fused_tanimoto_nlist.py
mlxmolkit/mmff_bfgs_header.metal
mlxmolkit/mmff_bfgs_source.metal
mlxmolkit/mmff_bfgs_source_tg.metal
mlxmolkit/mmff_dirlbfgs_source_tg.metal
mlxmolkit/mmff_lbfgs_source_tg.metal
mlxmolkit/mmff_minimize.py
mlxmolkit/mmff_params.py
mlxmolkit/morgan_cpu.py
mlxmolkit/native_metal.py
mlxmolkit/shared_batch.py
mlxmolkit/stereo_checks_metal.py
mlxmolkit/tanimoto_blockwise.py
mlxmolkit/tanimoto_metal_u32.py
mlxmolkit/solvers/__init__.py
mlxmolkit/solvers/lbfgs_metal.py
mlxmolkit/solvers/pp_lbfgs_metal.py
mlxmolkit_rdkit.egg-info/PKG-INFO
mlxmolkit_rdkit.egg-info/SOURCES.txt
mlxmolkit_rdkit.egg-info/dependency_links.txt
mlxmolkit_rdkit.egg-info/requires.txt
mlxmolkit_rdkit.egg-info/top_level.txt
tests/test_butina.py
tests/test_conformer_metal.py
tests/test_tanimoto.py