| # 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. | |