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da1c241 | 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 | # 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.
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