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README.md
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# Token-Level Guided Discrete Diffusion for Membrane Protein Design
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**arXiv preprint:** [link TBD]
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# or: export WANDB_API_KEY=<your-key>
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```
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**Requirements:** CUDA-capable GPU(s), Python 3.10+, and sufficient disk space for pretrained checkpoints (EvoFlow-650M, ESM2-650M) and saved model weights.
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---
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## Configuration
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| Config file | Purpose |
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| `src/configs/lm.yaml` |
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| `src/configs/solubility.yaml` | Train/
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| `src/configs/desolubilize.yaml` |
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| `src/configs/oligo.yaml` | Train/
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| `src/configs/multipass.yaml` | Train/
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**Training modes** are controlled by `training.mode` in each config:
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# Token-Level Guided Discrete Diffusion for Membrane Protein Design
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[**Shrey Goel**](https://shreygoel09.github.io/)\* and [**Pranam Chatterjee**](https://www.chatterjeelab.com/)
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**arXiv preprint:** [link TBD]
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# or: export WANDB_API_KEY=<your-key>
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```
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---
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## Configuration
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| Config file | Purpose |
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|---|---|
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| `src/configs/lm.yaml` | General diffusion language model utils (mainly for training MemDLM) |
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| `src/configs/solubility.yaml` | Train/eval per-residue solubility classifier + PET sampling hyperparameters |
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| `src/configs/desolubilize.yaml` | Hyperparameters for performing reverse solubilization task ("desolubilization") |
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| `src/configs/oligo.yaml` | Train/eval oligomerization classifier + LaMBO-2 sampling hyperparameters |
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| `src/configs/multipass.yaml` | Train/eval TM-segment classifier + LaMBO-2 sampling hyperparameters |
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**Training modes** are controlled by `training.mode` in each config:
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