Add verified flow/AE pair and pinned public source
Browse files- LICENSE +28 -0
- README.md +26 -0
- ae_checkpoints/2026_09_04_release_ae_z16_400k-ema.ckpt +3 -0
- ae_checkpoints/2026_09_04_release_ae_z16_400k-ema.ckpt.sha256 +1 -0
- flow_checkpoints/chk_epoch_00000169_step_000000340000-ema.ckpt +3 -0
- flow_checkpoints/chk_epoch_00000169_step_000000340000-ema.ckpt.sha256 +1 -0
- inference.yaml +62 -0
- provenance.json +10 -0
- source/RFD4-Proteina-66e4394d.tar.gz +3 -0
LICENSE
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BSD 3-Clause License
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Copyright (c) 2026, Institute for Protein Design, University of Washington
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Redistribution and use in source and binary forms, with or without
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modification, are permitted provided that the following conditions are met:
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* Redistributions of source code must retain the above copyright notice, this
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list of conditions and the following disclaimer.
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* Redistributions in binary form must reproduce the above copyright notice,
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this list of conditions and the following disclaimer in the documentation
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and/or other materials provided with the distribution.
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* Neither the name of the copyright holder nor the names of its
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contributors may be used to endorse or promote products derived from
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this software without specific prior written permission.
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THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS"
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AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
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IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
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DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT HOLDER OR CONTRIBUTORS BE LIABLE
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FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL
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DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR
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SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER
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CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY,
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OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
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OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
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README.md
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---
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license: bsd-3-clause
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tags:
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- biology
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- protein-design
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---
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# RFD4-Proteina
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Private mirror of the default released flow and autoencoder checkpoint pair.
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The native `flow_checkpoints/` and `ae_checkpoints/` layout matches `DATA_PATH` in RFD4.
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Both checkpoints must be used together. The `.sha256` sidecars record verified release checksums.
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The `source/` archive is an exact snapshot of RosettaCommons/RFD4-Proteina main at
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`66e4394d38a04a0b901a76507cd5528af2d7f845`. It has the same file tree as the private
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release branch checked on October 5, 2026. See `provenance.json` for identifiers.
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## Installation status
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This source revision still references the removed AtomWorks `release/atomworks-3-0`
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branch. AtomWorks 3.0.0 is available on PyPI; public RFD4 PR #5 contains the dependency
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update. The source archive is preserved unmodified for provenance and is not claimed
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to be a clean-install-ready release. Update the pinned source after release validation.
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These files are native RFD4 checkpoints, not Transformers weights or converted
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`from_pretrained` bundles. Use the RFD4 CLI and the documented compatible runtime.
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Code and third-party components retain their included license notices.
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ae_checkpoints/2026_09_04_release_ae_z16_400k-ema.ckpt
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version https://git-lfs.github.com/spec/v1
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oid sha256:b5ab42dda2702bf29f5d0b15e652cf1a88d2d8254ca81a4e7ec4aac55cf4147a
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size 3075639017
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ae_checkpoints/2026_09_04_release_ae_z16_400k-ema.ckpt.sha256
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b5ab42dda2702bf29f5d0b15e652cf1a88d2d8254ca81a4e7ec4aac55cf4147a 2026_09_04_release_ae_z16_400k-ema.ckpt
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flow_checkpoints/chk_epoch_00000169_step_000000340000-ema.ckpt
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version https://git-lfs.github.com/spec/v1
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oid sha256:d95c187520650824be6da9cd348d3d1a09127533047b8a0ed7ffa189f4123747
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size 4200426717
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flow_checkpoints/chk_epoch_00000169_step_000000340000-ema.ckpt.sha256
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d95c187520650824be6da9cd348d3d1a09127533047b8a0ed7ffa189f4123747 chk_epoch_00000169_step_000000340000-ema.ckpt
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inference.yaml
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# Default configs for inference through generate.py
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# The defaults are geared more towards ease-of-use by designers, so running with
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# the existing analysis scripts will necessitate overrides
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defaults:
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- _self_
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- inference_experiment: inference_on_user_inputs # Default for design
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- recycle_strategy: thinking_medium
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# NOTE: The experiment configs can override values specified in this config
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run_name_: inference
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verbose: false # Set true for routine warnings and detailed diagnostic output.
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out_dir: null # If null, defaults to ./runs/<run_name>. For production, set to an external
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# path (e.g. /shared/runs/experiment_name). SLURM scripts set this
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# automatically. All outputs (samples, metrics) go under this directory.
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# Current SOTA; generation and regression tooling resolve the immutable checkpoint from here.
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# Regenerate the inference baselines when advancing it; use CLI overrides for one-off checkpoints.
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ckpt_name: chk_epoch_00000169_step_000000340000-ema.ckpt
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ckpt_path: ${oc.env:DATA_PATH}/flow_checkpoints
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# Only applies when a pre-oracle design filter is active (i.e. its tag gate matched).
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# Determines whether to delete structure files for designs that fail this filter
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delete_failing_pre_oracle: True
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autoencoder_ckpt_path: ${oc.env:DATA_PATH}/ae_checkpoints/2026_09_04_release_ae_z16_400k-ema.ckpt
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num_replicates: 1 # Number of times to replicate each example
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# Token counts to pad batches to for torch.compile. Multiples of 16; null disables.
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compile_lengths: [128, 160, 192, 224, 256, 288, 320, 352, 384, 448, 512, 640, 768, 896, 1024]
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precision: bf16-mixed
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batch_size: 1
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subset_to_examples: null # If specified, only run inference on these example indices
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prevalidate_inputs: false # Whether to sanity-check each unique input once prior to generation (fail fast on bad inputs).
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seed: null # Will set a random seed if null
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torch_deterministic: false # Locks cuDNN/cuBLAS to deterministic algorithms; significantly reduces throughput
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skip_existing: true # If true, skip examples whose output structure files already exist in the output directory
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save_chain_of_interest: false # If true, write per-design chain-of-interest CIFs (only needed for foldseek clustering).
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compress_outputs: false # Compress persistent structure outputs, including refolds and CIF trajectories.
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metrics_tags: [] # If specified, determines which metrics are computed during inference
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num_workers: 4 # Number of dataloader workers
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hardware:
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accelerator: gpu
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ngpus_per_node_: 1
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nnodes_: 1
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# Cluster job settings (used by launch_infer_from_local.sh)
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ncpus_: 24 # Number of CPUs per task
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gen_njobs: 1 # Number of parallel generation jobs per config
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eval_njobs: 1 # Number of parallel evaluation jobs per config
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job_id: null # Set by launch_generate.sh; used to disambiguate per-job output files
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hydra:
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run:
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dir: ./hydra_outputs
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provenance.json
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{
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"public_repository": "https://github.com/RosettaCommons/RFD4-Proteina",
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"public_commit": "66e4394d38a04a0b901a76507cd5528af2d7f845",
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"public_tree": "04af6de14c3c6eafe6481825ea2bc3c7649d6fbb",
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"source_archive_sha256": "d7043bfbb6ab970ab88049801da10a36755aeea9dfd8e4f3e8757d948be1e144",
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"checkpoints": {
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"flow_checkpoints/chk_epoch_00000169_step_000000340000-ema.ckpt": "d95c187520650824be6da9cd348d3d1a09127533047b8a0ed7ffa189f4123747",
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"ae_checkpoints/2026_09_04_release_ae_z16_400k-ema.ckpt": "b5ab42dda2702bf29f5d0b15e652cf1a88d2d8254ca81a4e7ec4aac55cf4147a"
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}
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}
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source/RFD4-Proteina-66e4394d.tar.gz
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version https://git-lfs.github.com/spec/v1
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oid sha256:d7043bfbb6ab970ab88049801da10a36755aeea9dfd8e4f3e8757d948be1e144
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size 36057565
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