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revert formatting of docs page (#1044)
Reverts formatting to index.md and adds this page to mdformat's exclude list --------- Signed-off-by: Peter St. John <pstjohn@nvidia.com>
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.github/pull_request_template.md

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- [INCLUDE_NOTEBOOKS_TESTS](https://github.com/NVIDIA/bionemo-framework/blob/main/docs/docs/user-guide/contributing/contributing.md#include_notebooks_tests) - Execute notebook validation tests in pytest
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- [INCLUDE_SLOW_TESTS](https://github.com/NVIDIA/bionemo-framework/blob/main/docs/docs/user-guide/contributing/contributing.md#include_slow_tests) - Execute tests labelled as slow in pytest for extensive testing
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> \[!NOTE\]
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> [!NOTE]
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> By default, the notebooks validation tests are skipped unless explicitly enabled.
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#### Authorizing CI Runs

.github/workflows/unit-tests.yml

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submodules: "recursive"
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- uses: actions/setup-python@v5
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with:
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python-version: "3.12"
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python-version: "3.13"
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cache: "pip"
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- run: pip install -r requirements-dev.txt
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- run: ./ci/scripts/static_checks.sh

.mdformat.toml

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number = true # options: {false, true}
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exclude = [
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"docs/docs/index.md", # Exclude highly formatted index page
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]

.pre-commit-config.yaml

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args: ["--fix"]
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- id: ruff-format
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- repo: https://github.com/executablebooks/mdformat
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rev: 0.7.17 # Use the latest stable version
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rev: 0.7.22 # Use the latest stable version
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hooks:
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- id: mdformat
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language_version: python3.13
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additional_dependencies:
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- mdformat-tables
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- mdformat-gfm

README.md

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(`.devcontainer/devcontainer.json`) that simplifies the process of local testing and development. Opening the
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bionemo-framework folder with VSCode should prompt you to re-open the folder inside the devcontainer environment.
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> \[!NOTE\]
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> [!NOTE]
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> The first time you launch the devcontainer, it may take a long time to build the image. Building the image locally
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> (using the command shown above) will ensure that most of the layers are present in the local docker cache.
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docs/docs/index.md

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- navigation
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---
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**NVIDIA BioNeMo Framework** is a collection of programming tools, libraries, and models for computational drug
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discovery. It accelerates the most time-consuming and costly stages of building and adapting biomolecular AI models by
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providing domain-specific, optimized models and tooling that are easily integrated into GPU-based computational
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resources for the fastest performance on the market. You can access BioNeMo Framework as a free community resource or
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learn more about getting an enterprise license for improved expert-level support at the
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[BioNeMo homepage](https://www.nvidia.com/en-us/clara/bionemo/).
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<div class="grid cards" markdown>
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- :material-book-open-variant:{ .lg } __User Guide__
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- :material-book-open-variant:{ .lg } __User Guide__
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---
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Install BioNeMo and set up your environment to start accelerating your bioinformatics workflows.
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[Get Started](main/about/overview/){ .md-button .md-button }
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______________________________________________________________________
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- :material-code-greater-than:{ .lg } __API Reference__
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Install BioNeMo and set up your environment to start accelerating your bioinformatics workflows.
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---
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[Get Started](main/about/overview/){ .md-button .md-button }
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Access comprehensive documentation on BioNeMo's sub-packages, functions, and classes.
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- :material-code-greater-than:{ .lg } __API Reference__
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[API Reference](main/references/API_reference/bionemo/core/api/){ .md-button .md-button }
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______________________________________________________________________
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- :material-cube-outline:{ .lg } __Models__
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Access comprehensive documentation on BioNeMo's sub-packages, functions, and classes.
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---
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[API Reference](main/references/API_reference/bionemo/core/api/){ .md-button .md-button }
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Explore detailed instructions and best practices for using BioNeMo models in your research.
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- :material-cube-outline:{ .lg } __Models__
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[Explore Models](models){ .md-button .md-button }
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______________________________________________________________________
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Explore detailed instructions and best practices for using BioNeMo models in your research.
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[Explore Models](models){ .md-button .md-button }
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- :material-database-outline:{ .lg } __Datasets__
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- :material-database-outline:{ .lg } __Datasets__
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---
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______________________________________________________________________
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Explore biomolecular datasets that come pre-packaged with the BioNeMo Framework.
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Explore biomolecular datasets that come pre-packaged with the BioNeMo Framework.
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[Explore Datasets](main/datasets/){ .md-button .md-button }
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[Explore Datasets](main/datasets/){ .md-button .md-button }
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</div>

docs/docs/main/about/background/megatron_datasets.md

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provides some utilities that make multi-epoch training easier, while obeying the determinism requirements of
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megatron.
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The \[MultiEpochDatasetResampler\]\[bionemo.core.data.multi_epoch_dataset.MultiEpochDatasetResampler\] class simplifies the
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The [MultiEpochDatasetResampler][bionemo.core.data.multi_epoch_dataset.MultiEpochDatasetResampler] class simplifies the
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process of multi-epoch training, where the data should both be re-shuffled each epoch with different random effects
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applied each time the data is seen. To be compatible with this resampler, the provided dataset class's `__getitem__`
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method should accept a \[EpochIndex\]\[bionemo.core.data.multi_epoch_dataset.EpochIndex\] tuple that contains both an epoch
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method should accept a [EpochIndex][bionemo.core.data.multi_epoch_dataset.EpochIndex] tuple that contains both an epoch
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and index value. Random effects can then be performed by setting the torch random seed based on the epoch value:
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```python
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```
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For deterministic datasets that still want to train for multiple epochs with epoch-level shuffling, the
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\[IdentityMultiEpochDatasetWrapper\]\[bionemo.core.data.multi_epoch_dataset.IdentityMultiEpochDatasetWrapper\] class can
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[IdentityMultiEpochDatasetWrapper][bionemo.core.data.multi_epoch_dataset.IdentityMultiEpochDatasetWrapper] class can
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simplify this process by wrapping a dataset that accepts integer indices and passes along the
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\[EpochIndex\]\[bionemo.core.data.multi_epoch_dataset.EpochIndex\] index values from the resampled dataset.
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[EpochIndex][bionemo.core.data.multi_epoch_dataset.EpochIndex] index values from the resampled dataset.
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## Training Resumption
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To ensure identical behavior with and without job interruption, BioNeMo provides \[MegatronDataModule\]\[bionemo.llm.data.datamodule.MegatronDataModule\] to save and load state dict for training resumption, and provides \[WrappedDataLoader\]\[nemo.lightning.data.WrappedDataLoader\] to add a `mode` attribute to \[DataLoader\]\[torch.utils.data.DataLoader\].
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To ensure identical behavior with and without job interruption, BioNeMo provides [MegatronDataModule][bionemo.llm.data.datamodule.MegatronDataModule] to save and load state dict for training resumption, and provides [WrappedDataLoader][nemo.lightning.data.WrappedDataLoader] to add a `mode` attribute to [DataLoader][torch.utils.data.DataLoader].
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## Testing Datasets for Megatron Compatibility
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The \[assert_dataset_compatible_with_megatron\]\[bionemo.testing.data_utils.assert_dataset_compatible_with_megatron\]
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The [assert_dataset_compatible_with_megatron][bionemo.testing.data_utils.assert_dataset_compatible_with_megatron]
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function calls the dataset with identical indices and ensures the outputs are identical, while also checking to see if
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docs/docs/main/about/releasenotes-fw.md

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### New Features
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- \[Documentation\] New notebook demonstrating Zero-Shot Protein Design Using ESM-2nv. Thank you to @awlange from A-Alpha Bio for contributing the original version of this recipe!
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- [Documentation] Updated, executable ESM-2nv notebooks demonstrating: Data preprocessing and model training with custom datasets, Fine-tuning on FLIP data, Inference on OAS sequences, Pre-training from scratch and continuing training
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- [Documentation] New notebook demonstrating Zero-Shot Protein Design Using ESM-2nv. Thank you to @awlange from A-Alpha Bio for contributing the original version of this recipe!
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- \[Geneformer\] Fixed bug in preprocessing due to a relocation of dependent artifacts.
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- \[Geneformer\] Fixes bug in finetuning to use the newer preprocessing constructor.
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- [Geneformer] Fixed bug in preprocessing due to a relocation of dependent artifacts.
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- [Geneformer] Fixes bug in finetuning to use the newer preprocessing constructor.
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- \[Documentation\] Updated, executable MolMIM notebooks demonstrating: Training on custom data, Inference and downstream prediction, ZINC15 dataset preprocesing, and CMA-ES optimization
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- \[Dependencies\] Upgraded the framework to [NeMo v1.23](https://github.com/NVIDIA/NeMo/tree/v1.23.0), which updates PyTorch to version 2.2.0a0+81ea7a4 and CUDA to version 12.3.
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- [Documentation] Updated, executable MolMIM notebooks demonstrating: Training on custom data, Inference and downstream prediction, ZINC15 dataset preprocesing, and CMA-ES optimization
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- [Dependencies] Upgraded the framework to [NeMo v1.23](https://github.com/NVIDIA/NeMo/tree/v1.23.0), which updates PyTorch to version 2.2.0a0+81ea7a4 and CUDA to version 12.3.
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- [ESM2] Fixed a bug in gradient accumulation in encoder fine-tuning
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- [MegaMolBART] Make MegaMolBART encoder finetuning respect random seed set by user
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- [EquiDock] Remove steric clashes as a post-processing step after equidock inference.
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- [Documentation] Updated Getting Started section which sequentially describes prerequisites, BioNeMo Framework access, startup instructions, and next steps.
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- [Model Fine-tuning] `model.freeze_layers` fine-tuning config parameter added to freeze a specified number of layers. Thank you to github user [@nehap25](https://github.com/nehap25)!
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- [ESM2] Loading pre-trained ESM-2 weights and continue pre-training on the MLM objective on a custom FASTA dataset is now supported.
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- [OpenFold] MLPerf feature 3.2 bug (mha_fused_gemm) fix has merged.
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docs/docs/main/contributing/code-review.md

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partners that read the logs. For example, do not write "[topic]
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Bugfix" as your header in the commit message. Keep links to videos
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docs/docs/main/contributing/contributing.md

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## Developer Certificate of Origin (DCO)
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argument, or follow the instructions below for auto-signing). This sign-off certifies that you adhere to the Developer
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argument, or follow the instructions below for auto-signing). This sign-off certifies that you adhere to the Developer
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Certificate of Origin (DCO) ([full text](https://developercertificate.org/)); in short that the contribution is your
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- While under review, mark your PRs as work-in-progress by prefixing the PR title with \[WIP\].
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- While under review, mark your PRs as work-in-progress by prefixing the PR title with [WIP].
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2. Once ready, CI can be started by a developer with permissions when they add a `/build-ci` comment. This must pass
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