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Update conda yml
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heathcliff233 authored Aug 12, 2024
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* Clone the repo `git clone https://github.com/heathcliff233/Dense-Homolog-Retrieval.git`
* Go to the directory `cd Dense-Homolog-Retrieval`
* Build using requirements.txt `conda create --name fastMSA --file requirements.txt -c pytorch -c conda-forge -c bioconda`
* Build using environment.yml `conda create --name fastMSA --file environment.yml -c pytorch -c conda-forge -c bioconda`
* Activate the environment `conda activate fastMSA`
* Get the customized Phylopandas for fasta processing `git clone https://github.com/heathcliff233/phylopandas.git`


Please download the checkpoints [here](https://drive.google.com/file/d/1t7R_ZQJTIsFM0JVVuY9cLLa9EE2QlIVg/view?usp=sharing) and unzip. We will denote the absolute path to the checkpoint as `$MODEL_PATH`

If you would like a quick test with pre-built index or want to use esm1, please switch to v1 branch.

## Offline Embedding (optional)
* Get the path to sequence database as `$SEQDB_PATH` (require fasta format) and path to output as $OUTPUT_PATH
* Use `python3 do_embedding.py trainer.ur90_path=$SEQDB_PATH model.ckpt_path=$MODEL_PATH hydra.run.dir=$OUTPUT_PATH` to do embedding. Please note that `$SEQDB_PATH` needs to be an absolute path.
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