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Initial IDPro ESM C 600M Stage-4 step-80000 release

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  1. README.md +88 -0
  2. config.json +66 -0
  3. idpro_state.pt +3 -0
  4. metadata.json +1246 -0
README.md ADDED
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+ ---
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+ library_name: idpro
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+ license: cc-by-nc-4.0
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+ tags:
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+ - protein
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+ - language-model
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+ - idpro
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+ - esm
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+ - qwen
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+ base_model:
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+ - EvolutionaryScale/esmc-600m-2024-12
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+ - Qwen/Qwen3.5-27B
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+ ---
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+
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+ # IDPro — user/idpro-esmc-stage4
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+
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+ IDPro (Illuminating the Dark PROteome) is a multimodal protein → text model.
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+ A frozen ESM C protein encoder feeds per-residue embeddings through a 1D-Conv
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+ **adaptor** and an MLP **projector** into a Qwen3.5-27B language model. This
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+ release is the **fully-trained Stage-4 ESM C arm** — the canonical baseline
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+ used in the IDPro Aim 1 analyses (DOE Genesis Phase I).
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+
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+ ## What's in this release
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+
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+ The release ships only the **trained weights on top of the two frozen base
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+ models** — the bases (ESM C 600M and Qwen3.5-27B) are not bundled.
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+
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+ | Component | Shape / size | Source |
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+ |---|---|---|
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+ | `adaptor` (2× 1D Conv, kernel 7) | encoder_dim=1152 | this release |
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+ | `projector` (2-layer MLP) | 1152 → 5120 | this release |
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+ | `protein_modality_embed` + `prot_end_embed` | (1, 1, 5120) each | this release |
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+ | `protein_position` (sinusoidal + learned scale) | small | this release |
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+ | `evidence_head_pre` (pre-LLM, on adaptor output) | 9-class | this release |
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+ | `evidence_head_post` (post-LLM, layer 48 of Qwen) | 9-class | this release |
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+ | `llm.lm_head.weight` (resized output projection) | (vocab × 5120) | this release |
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+ | ESM C 600M encoder (frozen) | — | `EvolutionaryScale/esmc-600m-2024-12` |
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+ | Qwen3.5-27B base LLM (frozen) | — | `Qwen/Qwen3.5-27B` |
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+
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+ `idpro_state.pt` is a `{name: tensor}` dict with ~29 keys. It is loaded with
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+ `strict=False` against the IDPro module tree (the encoder and base LLM keys
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+ are not present in this dict — they come from the frozen bases).
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+
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+ ## Usage
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+
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+ ```python
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+ import torch
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+ from idpro.model import IDProModel
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+
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+ model = IDProModel.from_pretrained(
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+ "user/idpro-esmc-stage4",
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+ device="cuda",
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+ dtype=torch.bfloat16,
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+ # llm_name="<local-qwen-path>", # optional: point at a local Qwen snapshot
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+ )
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+
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+ answers = model.generate(
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+ sequences=["MGSSHHHHHHSSGLVPRGSHM..."],
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+ questions=["What is the function of this protein?"],
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+ )
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+ ```
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+
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+ The Aim 1 evaluation pipeline (probe benchmarks + conformal calibration) takes
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+ a local checkpoint directory via `--ckpt`, so you can either point it at the
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+ release dir directly or stage one with `huggingface_hub.snapshot_download`.
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+
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+ ## Special tokens
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+
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+ The training added four IDPro special tokens to the Qwen tokenizer:
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+
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+ `<PROT_START>`, `<PROT_END>`, `<RAG_START>`, `<RAG_END>`
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+
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+ `from_pretrained` rebuilds the tokenizer by adding these via
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+ `tokenizer.add_special_tokens(...)` and resizing the model's token embeddings
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+ to match the saved `lm_head` row count.
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+
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+ ## Provenance
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+
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+ - Source repo: doe_genesis (DOE Genesis Phase I, Focus Area 2C)
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+ - Source checkpoint: `/data/asahu/projects/doe_genesis/idpro/checkpoints/robust/stage4_step80000`
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+ - Stage / step: `stage4_step80000`
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+ - Notes: Canonical IDPro release: ESM C 600M + Qwen3.5-27B, Stage 4 step 80,000. EC-L1 macro-AUC 0.920 on the IDPro reference benchmark.
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+ - Eval (selected): 5-fold CV macro-AUC 0.944 (A_linear) / 0.956 (A+B+C_linear) on the EC-L1 reference benchmark.
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+
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+ ## License
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+
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+ Weights are released under CC-BY-NC-4.0 (research use; check upstream model
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+ licenses for ESM C and Qwen3.5-27B before redistribution).
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+ },
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+ "projector": {
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+ "activation": "gelu"
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+ "llm": {
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+ "dim": 5120,
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+ "q_proj",
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+ "k_proj",
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+ "v_proj",
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+ "o_proj",
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+ "gate_proj",
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+ "up_proj",
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+ "down_proj"
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+ "dtype": "bf16",
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+ "training": {
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+ "prot_start_token": "<PROT_START>",
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+ "prot_end_token": "<PROT_END>",
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+ "rag_start_token": "<RAG_START>",
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+ "rag_end_token": "<RAG_END>"
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+ }
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