# Morph inference runtime

This source snapshot accompanies the GEOM-Drugs explicit-H release and includes
the shared inference loader for the ChEMBL3D and GEOM-Drugs checkpoints published
in `maltefranke/morph`.

Install this directory with `python -m pip install .`. Python >=3.11 and a
compatible PyTorch 2.9 installation are required. Dependency constraints are in
`pyproject.toml`; `requirements-tested.txt` records the versions used to validate
the GEOM release.

```python
from morph.inference import load_pretrained

model = load_pretrained("geom-explicit-h", epoch=50, device="cuda")
trajectories, validity, vocab, coordinate_std = model.generate(n_mols=16)
```

Use `device="cpu"` for CPU inference. Run `morph models list` to discover all
published model names and epochs. The loader fetches a checkpoint and its
matching configuration, vocabularies and distributions; no dataset is required.

See the [model card](https://huggingface.co/maltefranke/morph) for installation,
sampling, hydrogen handling and checkpoint provenance.