.gitignore
DATA_LICENSE
LICENSE
README.md
env.yml
mkdocs.yml
pyproject.toml
.github/CODEOWNERS
.github/CODE_OF_CONDUCT.md
.github/PULL_REQUEST_TEMPLATE.md
.github/SECURITY.md
.github/workflows/code-check.yml
.github/workflows/doc.yml
.github/workflows/release.yml
.github/workflows/test.yml
docs/cli.md
docs/data_license.md
docs/index.md
docs/license.md
docs/api/safe.md
docs/api/safe.models.md
docs/api/safe.viz.md
docs/assets/safe-construction.svg
docs/assets/safe-tasks.svg
docs/tutorials/design-with-safe.ipynb
docs/tutorials/extracting-representation-molfeat.ipynb
docs/tutorials/getting-started.ipynb
docs/tutorials/how-it-works.ipynb
expts/config/accelerate.yaml
expts/scripts/slurm-data-build.sh
expts/scripts/slurm-notebook.sh
expts/scripts/slurm-tokenizer-train-custom.sh
expts/scripts/slurm-tokenizer-train-small.sh
expts/scripts/slurm-tokenizer-train.sh
expts/scripts/train-small.sh
expts/scripts/train.sh
expts/tokenizer/_tokenizer-custom-mini-test.json
expts/tokenizer/tokenizer-custom.json
safe/__init__.py
safe/_exception.py
safe/converter.py
safe/sample.py
safe/tokenizer.py
safe/utils.py
safe/viz.py
safe/trainer/__init__.py
safe/trainer/cli.py
safe/trainer/collator.py
safe/trainer/data_utils.py
safe/trainer/model.py
safe/trainer/trainer_utils.py
safe/trainer/configs/__init__.py
safe/trainer/configs/default_config.json
safe_mol.egg-info/PKG-INFO
safe_mol.egg-info/SOURCES.txt
safe_mol.egg-info/dependency_links.txt
safe_mol.egg-info/entry_points.txt
safe_mol.egg-info/not-zip-safe
safe_mol.egg-info/requires.txt
safe_mol.egg-info/top_level.txt
tests/test_hgf_load.py
tests/test_import.py
tests/test_notebooks.py
tests/test_safe.py