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Add AxoMEME v1 weights, config, and model card

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  1. README.md +138 -0
  2. config.json +11 -0
  3. model.safetensors +3 -0
README.md ADDED
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+ ---
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+ license: mit
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+ library_name: axomeme
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+ tags:
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+ - biology
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+ - bioinformatics
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+ - phylogenetics
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+ - molecular-evolution
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+ - positive-selection
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+ - dn-ds
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+ ---
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+
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+ # AxoMEME
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+
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+ **Ultra-fast neural inference of episodic positive selection in molecular sequences.**
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+
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+ AxoMEME detects site-level episodic diversifying positive selection (dN/dS > 1) across
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+ arbitrary codon alignments and phylogenetic trees. It replaces numerical Maximum Likelihood
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+ Estimation with an axial geometric transformer using Continuous 4D Tree Rotary Position
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+ Embeddings (Tree-RoPE), reaching a 100x-1,000x speedup over HyPhy MEME and PAML CodeML while
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+ matching or exceeding their empirical statistical power at a strictly controlled false
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+ positive rate.
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+
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+ - **Repository:** https://github.com/veg/axomeme
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+ - **Architecture notes:** [ARCHITECTURE.md](https://github.com/veg/axomeme/blob/main/ARCHITECTURE.md)
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+ - **Developed by:** Sergei L. Kosakovsky Pond and collaborators
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+ - **License:** MIT
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+
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+ ## Model details
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+
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+ | | |
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+ | :--- | :--- |
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+ | Parameters | 1,909,404 |
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+ | Embedding dimension | 384 |
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+ | Layers | 6 |
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+ | Attention heads | 12 |
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+ | Ordinal thresholds (CORAL head) | 16 |
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+ | Precision | float32 |
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+ | Checkpoint format | safetensors |
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+
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+ The model consumes a codon alignment plus a phylogeny and emits, per codon site, a likelihood
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+ ratio test statistic for episodic diversifying selection. Asymptotic p-values follow the
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+ standard MEME null mixture, `0.5 * delta(0) + 0.5 * chi^2(1)`.
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+
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+ ## Usage
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+
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+ Install the package, which pulls these weights automatically on first use:
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+
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+ ```bash
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+ pip install git+https://github.com/veg/axomeme.git
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+ ```
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+
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+ ### Command line
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+
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+ ```bash
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+ axomeme predict \
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+ --alignment my_genes.fasta \
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+ --tree my_genes.nwk \
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+ --output results.json \
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+ --csv results.csv
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+ ```
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+
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+ If `--tree` is omitted, AxoMEME extracts an embedded tree from a NEXUS or FASTA alignment.
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+
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+ ### Python
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+
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+ ```python
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+ from axomeme import PhyloAxialTransformer, load_alignment_and_tree
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+
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+ model = PhyloAxialTransformer.from_pretrained("datamonkey/axomeme").eval()
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+ codons, aas, dists, mds, invariable, taxa, num_sites = load_alignment_and_tree(
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+ "my_genes.fasta", "my_genes.nwk"
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+ )
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+ ```
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+
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+ See the repository README for a complete inference loop, including site batching and p-value
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+ computation.
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+
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+ ## Inputs and outputs
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+
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+ **Inputs.** An in-frame codon alignment (FASTA or NEXUS) and a phylogenetic tree (Newick or
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+ NEXUS) with branch lengths. Trees lacking branch lengths are estimated via HyPhy under HKY85
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+ when HyPhy is on the PATH; otherwise strictly positive lower bounds of 1e-4 are enforced,
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+ which degrades accuracy.
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+
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+ **Outputs.** Per codon site: an LRT statistic, an asymptotic p-value, and an invariable-site
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+ flag. Sites that are invariable across the alignment are assigned an LRT of 0.
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+
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+ ## Evaluation
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+
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+ Taking HyPhy MEME (p <= 0.10, asymptotic LRT >= 4.605) as ground truth across 84 empirical
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+ datasets from 9 independent literature studies (43,302 codons, up to 476 taxa):
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+
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+ | Literature study & system | Datasets | Codons | ROC-AUC | PR-AUC | PPV | FPR | Spearman rho | HyPhy MLE | AxoMEME CPU | Speedup |
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+ | :--- | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: |
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+ | Abdul et al. (2018), SMC5/6 complex | 9 | 7,073 | 0.990 | 0.752 | 100.0% | 0.00% | 0.874 | 561.0 s | 3.84 s | 171.3x |
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+ | Nisson et al. (2025), CCDC137 (HIV Vpr) | 1 | 290 | 0.940 | 0.650 | 75.0% | 0.35% | 0.833 | 80.0 s | 0.21 s | 380.9x |
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+ | Le Corf et al. (2026), GBP5 GTPase | 2 | 1,223 | 0.958 | 0.584 | 68.2% | 0.49% | 0.782 | 1,174.0 s | 1.68 s | 693.3x |
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+ | D'Oliviera et al. (2025), TRMT1 cleavage | 2 | 1,613 | 0.945 | 0.512 | 62.5% | 0.31% | 0.671 | 723.0 s | 1.30 s | 543.9x |
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+ | Lytras et al. (2023), bat OAS1 factor | 1 | 351 | 0.904 | 0.628 | 87.5% | 0.35% | 0.675 | 352.0 s | 0.22 s | 1,566.3x |
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+ | Wisotsky et al. (2020), benchmark suite | 12 | 4,290 | 0.965 | 0.618 | 68.8% | 0.58% | 0.615 | 8,603.0 s | 55.49 s | 608.8x |
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+ | Hilbert & Elde (2023), Siglec / C-lectins | 57 | 28,462 | 0.892 | 0.224 | 44.8% | 0.17% | 0.376 | 14,203.0 s | 16.12 s | 859.1x |
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+ | **Global aggregate** | **84** | **43,302** | **0.914** | **0.286** | **50.6%** | **0.191%** | **0.489** | **25,696.0 s** | **78.87 s** | **325.8x** |
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+
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+ Validation metrics recorded in the training checkpoint: Spearman rho 0.5974, MSE
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+ 3.6411, at epoch 16.
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+
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+ ## Limitations and intended use
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+
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+ AxoMEME is a research tool for comparative molecular evolution, intended as a fast screen for
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+ sites under episodic diversifying selection.
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+
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+ - It is trained to approximate HyPhy MEME, so it inherits that method's assumptions and is
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+ evaluated against it rather than against ground-truth selection. It is an approximation of
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+ MEME, not an independent test of it.
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+ - Precision falls on large, diverse gene families. On the Hilbert & Elde Siglec/C-lectin set
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+ the positive predictive value is 44.8%, so roughly half of flagged sites are not MEME
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+ positives. Treat hits as candidates for confirmatory analysis, not conclusions.
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+ - Aggregate PR-AUC of 0.286 reflects strong class imbalance; positive sites are rare.
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+ - Accuracy depends on branch lengths being present and meaningful. Topology-only trees are
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+ handled but degrade results.
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+ - Alignments must be in frame. Frameshifted or misaligned input produces silently wrong
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+ output.
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+ - The model has not been evaluated on non-coding sequence, recombinant alignments, or
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+ alignments with pervasive sequencing error.
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+
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+ ## Citation
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+
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+ A publication is in preparation. Until it appears, cite the repository:
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+
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+ ```bibtex
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+ @software{axomeme,
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+ title = {AxoMEME: Ultra-Fast Neural Inference of Episodic Positive Selection in Molecular Sequences},
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+ author = {Kosakovsky Pond, Sergei L. and collaborators},
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+ url = {https://github.com/veg/axomeme},
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+ year = {2026}
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+ }
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+ ```
config.json ADDED
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+ {
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+ "dropout": 0.1,
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+ "embed_dim": 384,
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+ "max_k": 32,
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+ "max_species": 256,
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+ "num_heads": 12,
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+ "num_layers": 6,
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+ "num_thresholds": 16,
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+ "num_tokens": 66,
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+ "window_size": 1
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+ }
model.safetensors ADDED
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+ version https://git-lfs.github.com/spec/v1
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+ oid sha256:db59db0d13aeca06fddbec3c56280a69915bd6c4fd77a19220c4e82365a5e5bc
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+ size 7655016