.codecov.yml
.gitattributes
.gitignore
.lgtm.yml
LICENSE
MANIFEST.in
README.md
pyproject.toml
setup.cfg
setup.py
.github/workflows/CI.yaml
devtools/readme.md
devtools/aws/README.md
devtools/aws/qed.yml
devtools/conda-envs/test_env.yaml
examples/benchmarks/RL_workshop.ipynb
examples/benchmarks/qed_rl_results.png
examples/benchmarks/run_qed_aws.py
examples/benchmarks/qed/run_qed.py
examples/benchmarks/qed/run_qed_aws.py
examples/benchmarks/qed/submit_qed.sh
examples/redox/README.md
examples/redox/models.py
examples/redox/radical_builder.py
examples/redox/radical_state.py
examples/redox/redox_fragment_data.pz
examples/redox/test_radical_state.py
rlmolecule/__init__.py
rlmolecule/_version.py
rlmolecule/actors.py
rlmolecule/builder.py
rlmolecule/gdb_filters.py
rlmolecule/molecule_model.py
rlmolecule/molecule_state.py
rlmolecule.egg-info/PKG-INFO
rlmolecule.egg-info/SOURCES.txt
rlmolecule.egg-info/dependency_links.txt
rlmolecule.egg-info/requires.txt
rlmolecule.egg-info/top_level.txt
rlmolecule/examples/__init__.py
rlmolecule/examples/logp.py
rlmolecule/examples/qed.py
rlmolecule/policy/__init__.py
rlmolecule/policy/model.py
rlmolecule/policy/preprocessor.py
rlmolecule/policy/data/__init__.py
rlmolecule/policy/data/preprocessor.json
tests/__init__.py
tests/conftest.py
tests/test_builder.py
tests/test_logp.py
tests/test_molecule_policy.py
tests/test_molecule_state.py
tests/test_ppo.py