uma-finetune-wrapper 0.1.0.dev2__tar.gz

uma_finetune_wrapper-0.1.0.dev2/LICENSE

@@ -0,0 +1,21 @@
+MIT License
+
+Copyright (c) 2026 Timmo-hendrik Pukk
+
+Permission is hereby granted, free of charge, to any person obtaining a copy
+of this software and associated documentation files (the "Software"), to deal
+in the Software without restriction, including without limitation the rights
+to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
+copies of the Software, and to permit persons to whom the Software is
+furnished to do so, subject to the following conditions:
+
+The above copyright notice and this permission notice shall be included in all
+copies or substantial portions of the Software.
+
+THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
+IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
+FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
+AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
+LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
+OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE
+SOFTWARE.

uma_finetune_wrapper-0.1.0.dev2/PKG-INFO

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+Metadata-Version: 2.4
+Name: uma-finetune-wrapper
+Version: 0.1.0.dev2
+Summary: A simple Python interface for UMA dataset preparation and fine-tuning with FAIRChem.
+Author: Timmo-hendrik Pukk
+License-Expression: MIT
+Keywords: UMA,FAIRChem,fine-tuning,atomistic,machine-learning
+Classifier: Development Status :: 3 - Alpha
+Classifier: Intended Audience :: Science/Research
+Classifier: Programming Language :: Python :: 3
+Classifier: Programming Language :: Python :: 3.12
+Classifier: Operating System :: POSIX :: Linux
+Classifier: Topic :: Scientific/Engineering :: Chemistry
+Classifier: Topic :: Scientific/Engineering :: Artificial Intelligence
+Requires-Python: >=3.12
+Description-Content-Type: text/markdown
+License-File: LICENSE
+License-File: src/uma_finetune/resources/FAIRChem-LICENSE.md
+License-File: src/uma_finetune/resources/NOTICE.md
+Requires-Dist: fairchem-core==2.22.0
+Requires-Dist: PyYAML>=6.0
+Dynamic: license-file
+
+# UMA fine-tuning wrapper
+
+Prepare a dataset and fine-tune a UMA model through two Python functions:
+`create_dataset()` and `finetune()`.
+
+This package wraps FAIRChem's existing dataset-generation and training tools.
+It provides options for backbone freezing, energy and force loss coefficients,
+and basic training settings. The training loop and model implementation remain
+in FAIRChem.
+
+The distribution name is **uma-finetune-wrapper**; the Python import is
+**uma_finetune**. This is an independent wrapper, not an official FAIRChem package.
+
+## Installation
+
+Python 3.12 and Linux are the tested development environment. The wrapper pins
+`fairchem-core==2.22.0`; compatibility with other FAIRChem versions has not been
+established.
+
+Install a PyTorch build suitable for your hardware first. The tested Tesla V100
+configuration uses:
+
+```bash
+python -m pip install 'torch==2.13.0' \
+    --index-url https://download.pytorch.org/whl/cu126
+```
+
+See the [PyTorch installation instructions](https://pytorch.org/get-started/locally/)
+for other hardware. This CUDA build is not a recommendation for every GPU.
+
+Before publication, install from the package source directory:
+
+```bash
+python -m pip install .
+```
+
+To build and install a wheel instead:
+
+```bash
+python -m pip wheel --no-deps --wheel-dir dist .
+python -m pip install dist/uma_finetune_wrapper-0.1.0.dev2-py3-none-any.whl
+python -m pip check
+```
+
+The installation command installs the declared dependencies. A separate FAIRChem
+source checkout is not needed: this package includes the required YAML templates.
+You also need access to the chosen UMA model and any authentication required by
+its [model repository](https://huggingface.co/facebook/UMA). Model weights are not
+included in this package.
+
+## Quick start
+
+Prepare separate training and validation directories containing labelled
+ASE-readable files, such as `.db`, `.traj`, or `.extxyz` files. The labels must be
+readable as ASE calculator results. Split your data before calling the wrapper;
+for related structures, keep the appropriate groups together to avoid leakage.
+
+Save this as a Python script and run it in your compute allocation:
+
+```python
+from uma_finetune import create_dataset, finetune
+
+if __name__ == '__main__':
+    dataset = create_dataset(
+        train_path='data/train',
+        val_path='data/validation',
+        output_dir='data/prepared',
+        task='oc25',
+        targets='ef',
+        base_model='uma-s-1p2',
+        num_workers=1,
+    )
+
+    output = finetune(
+        dataset=dataset,
+        output_dir='runs/example',
+        mode='head_only',
+        energy_coef=20,
+        force_coef=2,
+        epochs=1,
+        batch_size=4,
+        lr=1e-4,
+        device='cuda',
+    )
+
+    print('Run output root:', output)
+```
+
+`data/prepared` must not already exist. To train again using prepared data, call
+only `finetune(dataset='data/prepared', ...)`. Each call starts a new training run.
+On an HPC cluster, submit training inside a GPU allocation; the wrapper does not
+submit scheduler jobs.
+
+## Dataset options
+
+`create_dataset(train_path, val_path, output_dir, ...)` accepts directories for
+both inputs and returns the absolute prepared-directory path.
+
+| Option | Default | Meaning |
+| --- | --- | --- |
+| `task` | `'oc25'` | UMA task: `omol`, `omat`, `odac`, `oc20`, `oc25`, or `omc` |
+| `targets` | `'ef'` | `e`: energy; `ef`: energy and forces; `efs`: also stress |
+| `base_model` | `None` | Model name for the generated configuration; `None` uses FAIRChem's default |
+| `num_workers` | `1` | Positive number of conversion workers |
+
+Use the task corresponding to your data and pretrained model. Dataset conversion,
+normalization, and element-reference fitting are performed by FAIRChem. Its input
+requirements apply; real-data testing of this wrapper has used `targets='ef'`.
+
+## Training options
+
+`finetune(dataset, output_dir, ...)` uses the generated configuration and returns
+the absolute output root. FAIRChem creates a timestamped run directory inside it.
+
+| Option | Default | Meaning |
+| --- | --- | --- |
+| `model` | `None` | Pretrained model name; `None` keeps the dataset configuration's model |
+| `mode` | `'full'` | `full`, `head_only`, or `partial` |
+| `freeze_blocks` | `0` | Number of initial backbone blocks frozen in partial mode |
+| `energy_coef` | `20` | Energy loss coefficient |
+| `force_coef` | `2` | Force loss coefficient |
+| `epochs` | `30` | Total training epochs |
+| `batch_size` | `4` | Training and validation batch size |
+| `lr` | `1e-4` | Learning rate |
+| `device` | `'cuda'` | `cuda` or `cpu` |
+| `max_neighbors` | `300` | Model neighbor limit |
+| `max_saved_checkpoints` | `2` | Retention limit passed to FAIRChem's checkpoint callback |
+
+Loss coefficients must be finite and nonnegative. Set either coefficient to
+`None` to keep its YAML setting. For energy-only training, use `force_coef=None`.
+Stress training retains its generated loss coefficient.
+
+### Freezing
+
+- **full:** all model parameters are trainable.
+- **head_only:** the backbone is frozen; parameters outside it remain trainable.
+- **partial:** the first `freeze_blocks` blocks are frozen; subsequent blocks
+  and heads are trainable. Other backbone parameters remain frozen.
+
+For example, freeze the first block:
+
+```python
+output = finetune(
+    dataset='data/prepared',
+    output_dir='runs/partial',
+    mode='partial',
+    freeze_blocks=1,
+    epochs=1,
+    batch_size=1,
+)
+```
+
+`freeze_blocks` must be between zero and the model's block count. A nonzero value
+is only accepted in partial mode. Partial mode with zero frozen blocks still
+freezes backbone parameters outside the blocks, so it differs from full mode.
+The initializer prints the number of trainable parameters.
+
+## Use a trained model
+
+After a completed run, find:
+
+```text
+<output_dir>/<run_id>/checkpoints/final/inference_ckpt.pt
+```
+
+Load it through FAIRChem using the same task used for fine-tuning:
+
+```python
+from ase.io import read
+from fairchem.core import FAIRChemCalculator
+from fairchem.core.units.mlip_unit import load_predict_unit
+
+predictor = load_predict_unit(
+    'runs/example/<run_id>/checkpoints/final/inference_ckpt.pt',
+    device='cuda',
+)
+atoms = read('data/validation/example.db', index=0)
+atoms.calc = FAIRChemCalculator(predictor, task_name='oc25')
+
+energy = atoms.get_potential_energy()  # eV
+forces = atoms.get_forces(apply_constraint=False)  # eV/angstrom
+```
+
+Replace `<run_id>` and the input filename with actual paths. The wrapper does
+not currently implement checkpoint resume or automatic best-checkpoint selection.
+
+## Validation status
+
+The following checks were completed on 17 October 2026:
+
+- Dataset conversion with the bundled templates: 2,130 training structures.
+- Head-only GPU training, final checkpoint loading, and finite energy/force
+  predictions on a 54-atom validation structure.
+- Partial training with `freeze_blocks=1`, producing a final checkpoint.
+- Fresh-environment wheel installation followed by dataset conversion,
+  head-only GPU training, and checkpoint inference without an editable FAIRChem
+  checkout.
+
+The tested combination was Python 3.12, FAIRChem 2.22.0, PyTorch 2.13.0+cu126,
+and a Tesla V100-SXM2-32GB. Full-mode GPU training, CPU training, other tasks,
+and real-data energy-only/stress training have not been tested for this wrapper.
+These are functionality checks, not evidence of model accuracy or generalization.
+
+Lightweight wrapper tests can be run from the source directory:
+
+```bash
+python -m unittest discover -s tests -v
+```
+
+For development, install with `python -m pip install -e .`. Keep a snapshot of
+an environment that passed your tests using `python -m pip freeze > requirements-tested.txt`.
+This snapshot records an environment; it does not replace the package's dependency
+metadata or the CUDA-specific installation instructions.
+
+## License and attribution
+
+The wrapper is distributed under the MIT license; see `LICENSE`.
+The bundled FAIRChem 2.22.0 YAML templates retain their original copyright and
+MIT license in `src/uma_finetune/resources/FAIRChem-LICENSE.md`, with provenance
+in `src/uma_finetune/resources/NOTICE.md`.
+
+The wrapper's license does not change the terms for UMA model weights, datasets,
+or other dependencies. Follow the upstream model's terms and citation guidance
+when using it in research.
+
+Upstream: [FAIRChem](https://github.com/facebookresearch/fairchem).

uma_finetune_wrapper-0.1.0.dev2/README.md

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+# UMA fine-tuning wrapper
+
+Prepare a dataset and fine-tune a UMA model through two Python functions:
+`create_dataset()` and `finetune()`.
+
+This package wraps FAIRChem's existing dataset-generation and training tools.
+It provides options for backbone freezing, energy and force loss coefficients,
+and basic training settings. The training loop and model implementation remain
+in FAIRChem.
+
+The distribution name is **uma-finetune-wrapper**; the Python import is
+**uma_finetune**. This is an independent wrapper, not an official FAIRChem package.
+
+## Installation
+
+Python 3.12 and Linux are the tested development environment. The wrapper pins
+`fairchem-core==2.22.0`; compatibility with other FAIRChem versions has not been
+established.
+
+Install a PyTorch build suitable for your hardware first. The tested Tesla V100
+configuration uses:
+
+```bash
+python -m pip install 'torch==2.13.0' \
+    --index-url https://download.pytorch.org/whl/cu126
+```
+
+See the [PyTorch installation instructions](https://pytorch.org/get-started/locally/)
+for other hardware. This CUDA build is not a recommendation for every GPU.
+
+Before publication, install from the package source directory:
+
+```bash
+python -m pip install .
+```
+
+To build and install a wheel instead:
+
+```bash
+python -m pip wheel --no-deps --wheel-dir dist .
+python -m pip install dist/uma_finetune_wrapper-0.1.0.dev2-py3-none-any.whl
+python -m pip check
+```
+
+The installation command installs the declared dependencies. A separate FAIRChem
+source checkout is not needed: this package includes the required YAML templates.
+You also need access to the chosen UMA model and any authentication required by
+its [model repository](https://huggingface.co/facebook/UMA). Model weights are not
+included in this package.
+
+## Quick start
+
+Prepare separate training and validation directories containing labelled
+ASE-readable files, such as `.db`, `.traj`, or `.extxyz` files. The labels must be
+readable as ASE calculator results. Split your data before calling the wrapper;
+for related structures, keep the appropriate groups together to avoid leakage.
+
+Save this as a Python script and run it in your compute allocation:
+
+```python
+from uma_finetune import create_dataset, finetune
+
+if __name__ == '__main__':
+    dataset = create_dataset(
+        train_path='data/train',
+        val_path='data/validation',
+        output_dir='data/prepared',
+        task='oc25',
+        targets='ef',
+        base_model='uma-s-1p2',
+        num_workers=1,
+    )
+
+    output = finetune(
+        dataset=dataset,
+        output_dir='runs/example',
+        mode='head_only',
+        energy_coef=20,
+        force_coef=2,
+        epochs=1,
+        batch_size=4,
+        lr=1e-4,
+        device='cuda',
+    )
+
+    print('Run output root:', output)
+```
+
+`data/prepared` must not already exist. To train again using prepared data, call
+only `finetune(dataset='data/prepared', ...)`. Each call starts a new training run.
+On an HPC cluster, submit training inside a GPU allocation; the wrapper does not
+submit scheduler jobs.
+
+## Dataset options
+
+`create_dataset(train_path, val_path, output_dir, ...)` accepts directories for
+both inputs and returns the absolute prepared-directory path.
+
+| Option | Default | Meaning |
+| --- | --- | --- |
+| `task` | `'oc25'` | UMA task: `omol`, `omat`, `odac`, `oc20`, `oc25`, or `omc` |
+| `targets` | `'ef'` | `e`: energy; `ef`: energy and forces; `efs`: also stress |
+| `base_model` | `None` | Model name for the generated configuration; `None` uses FAIRChem's default |
+| `num_workers` | `1` | Positive number of conversion workers |
+
+Use the task corresponding to your data and pretrained model. Dataset conversion,
+normalization, and element-reference fitting are performed by FAIRChem. Its input
+requirements apply; real-data testing of this wrapper has used `targets='ef'`.
+
+## Training options
+
+`finetune(dataset, output_dir, ...)` uses the generated configuration and returns
+the absolute output root. FAIRChem creates a timestamped run directory inside it.
+
+| Option | Default | Meaning |
+| --- | --- | --- |
+| `model` | `None` | Pretrained model name; `None` keeps the dataset configuration's model |
+| `mode` | `'full'` | `full`, `head_only`, or `partial` |
+| `freeze_blocks` | `0` | Number of initial backbone blocks frozen in partial mode |
+| `energy_coef` | `20` | Energy loss coefficient |
+| `force_coef` | `2` | Force loss coefficient |
+| `epochs` | `30` | Total training epochs |
+| `batch_size` | `4` | Training and validation batch size |
+| `lr` | `1e-4` | Learning rate |
+| `device` | `'cuda'` | `cuda` or `cpu` |
+| `max_neighbors` | `300` | Model neighbor limit |
+| `max_saved_checkpoints` | `2` | Retention limit passed to FAIRChem's checkpoint callback |
+
+Loss coefficients must be finite and nonnegative. Set either coefficient to
+`None` to keep its YAML setting. For energy-only training, use `force_coef=None`.
+Stress training retains its generated loss coefficient.
+
+### Freezing
+
+- **full:** all model parameters are trainable.
+- **head_only:** the backbone is frozen; parameters outside it remain trainable.
+- **partial:** the first `freeze_blocks` blocks are frozen; subsequent blocks
+  and heads are trainable. Other backbone parameters remain frozen.
+
+For example, freeze the first block:
+
+```python
+output = finetune(
+    dataset='data/prepared',
+    output_dir='runs/partial',
+    mode='partial',
+    freeze_blocks=1,
+    epochs=1,
+    batch_size=1,
+)
+```
+
+`freeze_blocks` must be between zero and the model's block count. A nonzero value
+is only accepted in partial mode. Partial mode with zero frozen blocks still
+freezes backbone parameters outside the blocks, so it differs from full mode.
+The initializer prints the number of trainable parameters.
+
+## Use a trained model
+
+After a completed run, find:
+
+```text
+<output_dir>/<run_id>/checkpoints/final/inference_ckpt.pt
+```
+
+Load it through FAIRChem using the same task used for fine-tuning:
+
+```python
+from ase.io import read
+from fairchem.core import FAIRChemCalculator
+from fairchem.core.units.mlip_unit import load_predict_unit
+
+predictor = load_predict_unit(
+    'runs/example/<run_id>/checkpoints/final/inference_ckpt.pt',
+    device='cuda',
+)
+atoms = read('data/validation/example.db', index=0)
+atoms.calc = FAIRChemCalculator(predictor, task_name='oc25')
+
+energy = atoms.get_potential_energy()  # eV
+forces = atoms.get_forces(apply_constraint=False)  # eV/angstrom
+```
+
+Replace `<run_id>` and the input filename with actual paths. The wrapper does
+not currently implement checkpoint resume or automatic best-checkpoint selection.
+
+## Validation status
+
+The following checks were completed on 17 October 2026:
+
+- Dataset conversion with the bundled templates: 2,130 training structures.
+- Head-only GPU training, final checkpoint loading, and finite energy/force
+  predictions on a 54-atom validation structure.
+- Partial training with `freeze_blocks=1`, producing a final checkpoint.
+- Fresh-environment wheel installation followed by dataset conversion,
+  head-only GPU training, and checkpoint inference without an editable FAIRChem
+  checkout.
+
+The tested combination was Python 3.12, FAIRChem 2.22.0, PyTorch 2.13.0+cu126,
+and a Tesla V100-SXM2-32GB. Full-mode GPU training, CPU training, other tasks,
+and real-data energy-only/stress training have not been tested for this wrapper.
+These are functionality checks, not evidence of model accuracy or generalization.
+
+Lightweight wrapper tests can be run from the source directory:
+
+```bash
+python -m unittest discover -s tests -v
+```
+
+For development, install with `python -m pip install -e .`. Keep a snapshot of
+an environment that passed your tests using `python -m pip freeze > requirements-tested.txt`.
+This snapshot records an environment; it does not replace the package's dependency
+metadata or the CUDA-specific installation instructions.
+
+## License and attribution
+
+The wrapper is distributed under the MIT license; see `LICENSE`.
+The bundled FAIRChem 2.22.0 YAML templates retain their original copyright and
+MIT license in `src/uma_finetune/resources/FAIRChem-LICENSE.md`, with provenance
+in `src/uma_finetune/resources/NOTICE.md`.
+
+The wrapper's license does not change the terms for UMA model weights, datasets,
+or other dependencies. Follow the upstream model's terms and citation guidance
+when using it in research.
+
+Upstream: [FAIRChem](https://github.com/facebookresearch/fairchem).

uma_finetune_wrapper-0.1.0.dev2/pyproject.toml

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+[build-system]
+requires = ['setuptools>=77.0.3']
+build-backend = 'setuptools.build_meta'
+
+[project]
+name = 'uma-finetune-wrapper'
+version = '0.1.0.dev2'
+description = 'A simple Python interface for UMA dataset preparation and fine-tuning with FAIRChem.'
+readme = 'README.md'
+requires-python = '>=3.12'
+license = 'MIT'
+license-files = [
+    'LICENSE',
+    'src/uma_finetune/resources/FAIRChem-LICENSE.md',
+    'src/uma_finetune/resources/NOTICE.md',
+]
+authors = [{name = 'Timmo-hendrik Pukk'}]
+keywords = ['UMA', 'FAIRChem', 'fine-tuning', 'atomistic', 'machine-learning']
+classifiers = [
+    'Development Status :: 3 - Alpha',
+    'Intended Audience :: Science/Research',
+    'Programming Language :: Python :: 3',
+    'Programming Language :: Python :: 3.12',
+    'Operating System :: POSIX :: Linux',
+    'Topic :: Scientific/Engineering :: Chemistry',
+    'Topic :: Scientific/Engineering :: Artificial Intelligence',
+]
+dependencies = [
+    'fairchem-core==2.22.0',
+    'PyYAML>=6.0',
+]
+
+[tool.setuptools.packages.find]
+where = ['src']
+include = ['uma_finetune*']
+namespaces = true
+
+[tool.setuptools.package-data]
+uma_finetune = [
+    'resources/*.md',
+    'resources/configs/uma/finetune/*.yaml',
+    'resources/configs/uma/finetune/data/*.yaml',
+]

uma_finetune_wrapper-0.1.0.dev2/setup.cfg

@@ -0,0 +1,4 @@
+[egg_info]
+tag_build = 
+tag_date = 0
+

uma_finetune_wrapper-0.1.0.dev2/src/uma_finetune/__init__.py

@@ -0,0 +1,6 @@
+'''Simple UMA dataset preparation and fine-tuning tools.'''
+
+from .dataset import create_dataset
+from .training import finetune
+
+__all__ = ['create_dataset', 'finetune']

uma_finetune_wrapper-0.1.0.dev2/src/uma_finetune/dataset.py

@@ -0,0 +1,62 @@
+'''Prepare datasets with FAIRChem's existing UMA conversion script.'''
+
+import subprocess
+import sys
+from importlib.resources import as_file, files
+from pathlib import Path
+
+
+def create_dataset(
+    train_path,
+    val_path,
+    output_dir,
+    *,
+    task='oc25',
+    targets='ef',
+    base_model=None,
+    num_workers=1,
+):
+    '''Convert directories of labelled ASE-readable files and return their output path.
+
+    targets: 'e' (energies), 'ef' (energies and forces), or 'efs' (also stress).
+    base_model=None uses FAIRChem's default for the generated configuration.
+    output_dir must not already exist. Templates are included in the package.
+    Conversion failures raise subprocess.CalledProcessError; logs remain visible.
+    '''
+    train_path = Path(train_path).expanduser().resolve()
+    val_path = Path(val_path).expanduser().resolve()
+    output_dir = Path(output_dir).expanduser().resolve()
+
+    for path in (train_path, val_path):
+        if not path.is_dir():
+            raise NotADirectoryError(f'Input directory does not exist: {path}')
+
+    if output_dir.exists():
+        raise FileExistsError(f'Output directory already exists: {output_dir}')
+    if task not in ('omol', 'omat', 'odac', 'oc20', 'oc25', 'omc'):
+        raise ValueError('task must be omol, omat, odac, oc20, oc25, or omc.')
+    if targets not in ('e', 'ef', 'efs'):
+        raise ValueError('targets must be e, ef, or efs.')
+    if type(num_workers) is not int or num_workers < 1:
+        raise ValueError('num_workers must be a positive integer.')
+
+    command = [
+        sys.executable,
+        '-m', 'fairchem.core.scripts.create_uma_finetune_dataset',
+        '--train-dir', str(train_path),
+        '--val-dir', str(val_path),
+        '--output-dir', str(output_dir),
+        '--uma-task', task,
+        '--regression-tasks', targets,
+        '--num-workers', str(num_workers),
+    ]
+
+    if base_model is not None:
+        command.extend(['--base-model', base_model])
+
+    # FAIRChem reads configs/uma/finetune relative to its working directory.
+    # Input and output paths are absolute, so only template lookup changes.
+    resources = files('uma_finetune').joinpath('resources')
+    with as_file(resources) as resource_root:
+        subprocess.run(command, check=True, cwd=resource_root)
+    return output_dir

uma_finetune_wrapper-0.1.0.dev2/src/uma_finetune/resources/FAIRChem-LICENSE.md

@@ -0,0 +1,23 @@
+# License
+
+MIT License
+
+Copyright (c) Meta, Inc. and its affiliates.
+
+Permission is hereby granted, free of charge, to any person obtaining a copy
+of this software and associated documentation files (the "Software"), to deal
+in the Software without restriction, including without limitation the rights
+to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
+copies of the Software, and to permit persons to whom the Software is
+furnished to do so, subject to the following conditions:
+
+The above copyright notice and this permission notice shall be included in all
+copies or substantial portions of the Software.
+
+THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
+IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
+FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
+AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
+LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
+OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE
+SOFTWARE.

uma_finetune_wrapper-0.1.0.dev2/src/uma_finetune/resources/NOTICE.md

@@ -0,0 +1,13 @@
+# FAIRChem templates
+
+The four YAML files under configs/uma/finetune are unmodified copies from
+FAIRChem 2.22.0, supplied from the working source checkout for this project.
+Upstream project: https://github.com/facebookresearch/fairchem
+
+Copyright (c) Meta, Inc. and its affiliates.
+These templates are distributed under the MIT license reproduced in
+FAIRChem-LICENSE.md. This notice does not assign a license to the wrapper itself.
+
+The conversion script is supplied by the installed fairchem-core dependency;
+it is not copied into this package. Keep these resources matched to the pinned
+FAIRChem version when upgrading.