--- pretty_name: Dayhoff FASTA and MMseqs2 Databases --- # Dayhoff FASTA and MMseqs2 databases This dataset contains the original [Dayhoff Atlas](https://huggingface.co/datasets/microsoft/Dayhoff) GigaRef and UniRef50 datasets, in formats amenable to MMSeqs2 CPU and GPU utilities. The train, validation, and test sets from the original atlas were combined and the following datasets available: * GigaRef No Singletons - The GigaRef dataset, with no singleton clusters. * GigaRef Singletons - The GigaRef dataset, with only singleton clusters. * GigaRef Full - Every sequence contained in both the no-singletons and singletons subsets. * UniRef50 - UniProt clustered at 50% sequence identity. Each dataset is or will be available in the following formats: * FASTA - Canonical sequence storage format, usable with many bioinformatics tools. * MMSeqs2-CPU - Converted folder of unindexed database files compatible with MMSeqs2-CPU. Searches can be tuned to splits that accommodate your system RAM. * MMSeqs2-GPU - Converted folder of padded sequence databases for MMSeqs2-GPU search. Requires 1+ GPU(s) on your machine to run. ## Current Repo Organization ```text fastas/ ├── gigaref-full.fasta.gz ├── gigaref-singletons.fasta.gz ├── gigaref-no-singletons.fasta.gz └── uniref50.fasta.gz mmseqs-cpu/ ├── gigaref-singletons/db/ ├── gigaref-no-singletons/db/ └── uniref50/db/ mmseqs-gpu/ ├── gigaref-singletons/db_gpu/ ├── gigaref-no-singletons/db_gpu/ └── uniref50/db_gpu/ ``` MMseqs can read the `.fasta.gz` files directly. | Artifact | Download | Working disk | Host RAM | GPU | | --- | ---: | ---: | --- | --- | | GigaRef full FASTA | 358.90 GB | 358.90 GB compressed | Not applicable | None | | GigaRef singleton FASTA | 147.28 GB | 147.28 GB compressed | Not applicable | None | | GigaRef no-singleton FASTA | 211.62 GB | 211.62 GB compressed | Not applicable | None | | UniRef50 FASTA | 13.27 GB | 13.27 GB compressed | Not applicable | None | | UniRef50 CPU MMseqs | 14.97 GB | approximately 28 GB extracted | 32 GB recommended; lower RAM works with splitting | None | | UniRef50 GPU MMseqs | 15.29 GB | approximately 28 GB extracted | 32 GB recommended; lower RAM works with splitting | At least one MMseqs2-GPU-compatible NVIDIA GPU | | GigaRef singleton CPU MMseqs | 182.49 GB | approximately 387 GB extracted | 64 GB starting point with splitting; 400+ GB maximizes throughput | None | | GigaRef singleton GPU MMseqs | 189.12 GB | approximately 395 GB extracted | 64 GB starting point with splitting; 400+ GB maximizes throughput | At least one MMseqs2-GPU-compatible NVIDIA GPU; the database need not fit VRAM | | GigaRef no-singleton CPU MMseqs | 279.08 GB | 572.73 GB extracted; allow 647 GB while extracting | 64 GB is a practical starting point with splitting; 600+ GB maximizes throughput | None | | GigaRef no-singleton GPU MMseqs | 292.13 GB | 586.94 GB extracted; allow 660 GB while extracting | 64 GB is a practical starting point with splitting; 600+ GB maximizes throughput | At least one MMseqs2-GPU-compatible NVIDIA GPU; the database need not fit VRAM | Put the extracted MMseqs database and temporary search directory on the fastest local SSD or NVMe available. I/O speed, RAM, and GPUs improve throughput; slow storage substantially increases search time. ## Hugging Face download example ```bash export REPO=microsoft/Dayhoff-MMseqs2 export REV=main export DEST=/data/Dayhoff-MMseqs2 export TARGET=gigaref-no-singletons # FASTA hf download "$REPO" "fastas/$TARGET.fasta.gz" \ --repo-type dataset --revision "$REV" --local-dir "$DEST" # CPU MMseqs hf download "$REPO" --repo-type dataset --revision "$REV" \ --include "mmseqs-cpu/$TARGET/**" --local-dir "$DEST" # GPU MMseqs hf download "$REPO" --repo-type dataset --revision "$REV" \ --include "mmseqs-gpu/$TARGET/**" --local-dir "$DEST" ``` Valid FASTA targets are `gigaref-full`, `gigaref-singletons`, `gigaref-no-singletons`, and `uniref50`. CPU and GPU MMseqs targets are `gigaref-singletons`, `gigaref-no-singletons`, and `uniref50`. ## Extract and search The FASTA needs no extraction for MMseqs. To create an uncompressed FASTA: ```bash pigz -dc "fastas/$TARGET.fasta.gz" > "fastas/$TARGET.fasta" ``` Extract either MMseqs representation once: ```bash find "mmseqs-cpu/$TARGET" -type f -name '*.gz' -print0 | xargs -0 -n1 pigz -d find "mmseqs-gpu/$TARGET" -type f -name '*.gz' -print0 | xargs -0 -n1 pigz -d ``` The resulting target prefixes are: ```text mmseqs-cpu/$TARGET/db/db mmseqs-gpu/$TARGET/db_gpu/db_gpu ``` For a 64 GB host, use native MMseqs target splitting: ```bash mmseqs search queryDB TARGET_DB resultDB tmp \ --gpu 1 \ --split-mode 0 \ --split-memory-limit 48G \ ``` Omit `--gpu 1` for CPU search. The UniRef50 and singleton databases were built directly from their published combined FASTAs, so their sequence identifiers match. The no-singletons FASTA and MMseqs database contain the same 1.8B-sequence corpus, but the FASTA uses `gr_` identifiers while the existing MMseqs database retains older `g_` identifiers. This difference does not affect inference.