LICENSE
MANIFEST.in
README.md
pyproject.toml
setup.py
lacan/__init__.py
lacan/breed.py
lacan/decompose.py
lacan/gen.py
lacan/lacan.py
lacan/mutate.py
lacan/protect.py
lacan/replace.py
lacan.egg-info/PKG-INFO
lacan.egg-info/SOURCES.txt
lacan.egg-info/dependency_links.txt
lacan.egg-info/requires.txt
lacan.egg-info/top_level.txt
lacan/__pycache__/__init__.cpython-310.pyc
lacan/__pycache__/__init__.cpython-312.pyc
lacan/__pycache__/breed.cpython-310.pyc
lacan/__pycache__/decompose.cpython-310.pyc
lacan/__pycache__/decompose.cpython-312.pyc
lacan/__pycache__/gen.cpython-310.pyc
lacan/__pycache__/lacan.cpython-310.pyc
lacan/__pycache__/lacan.cpython-312.pyc
lacan/__pycache__/mutate.cpython-310.pyc
lacan/__pycache__/protect.cpython-310.pyc
lacan/__pycache__/replace.cpython-310.pyc
lacan/data/__init__.py
lacan/data/chembl.pickle
lacan/data/chembl_full.pickle
lacan/data/coconut.pickle
lacan/data/coconut_rls.csv
lacan/data/d3_actives.csv
lacan/data/d3_decoys.csv
lacan/data/rls.csv
lacan/example_notebooks/evaluate_bonds.ipynb
lacan/example_notebooks/generate_molecules.ipynb
lacan/example_notebooks/median_molecules.ipynb
lacan/example_notebooks/mutating_molecules.ipynb
lacan/example_notebooks/optimize_from_mol.ipynb
lacan/example_notebooks/shape_optimize_vortioxetine.ipynb
lacan/example_notebooks/vortioxetine.sdf
lacan/example_notebooks/.ipynb_checkpoints/evaluate_bonds-checkpoint.ipynb
lacan/example_notebooks/.ipynb_checkpoints/generate_molecules-checkpoint.ipynb
lacan/example_notebooks/.ipynb_checkpoints/median_molecules-checkpoint.ipynb
lacan/example_notebooks/.ipynb_checkpoints/mutating_molecules-checkpoint.ipynb
lacan/example_notebooks/.ipynb_checkpoints/optimize_from_mol-checkpoint.ipynb
lacan/example_notebooks/.ipynb_checkpoints/shape_optimize_vortioxetine-checkpoint.ipynb
tests/test_decompose.py
tests/test_lacan.py
tests/test_mutate.py
tests/test_optimize_from_mol.py
tests/test_protect.py
tests/test_replace.py