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README.md
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@@ -21,8 +21,9 @@ Install [Model Generator](https://github.com/genbio-ai/modelgenerator)
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- Download the CATH 4.2 dataset preprocessed by [Generative Models for Graph-Based Protein Design (Ingraham et al, NeurIPS'19)](https://papers.nips.cc/paper_files/paper/2019/file/f3a4ff4839c56a5f460c88cce3666a2b-Paper.pdf) from [here](http://people.csail.mit.edu/ingraham/graph-protein-design/data/cath/). You should find two files named `chain_set.jsonl` and `chain_set_splits.json`. Place them inside the directory `${MGEN_DATA_DIR}/modelgenerator/datasets/protein_inv_fold/cath_4.2/`.
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- Then run the
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```
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bash prot_inverse_folding.sh
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```
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- Download the CATH 4.2 dataset preprocessed by [Generative Models for Graph-Based Protein Design (Ingraham et al, NeurIPS'19)](https://papers.nips.cc/paper_files/paper/2019/file/f3a4ff4839c56a5f460c88cce3666a2b-Paper.pdf) from [here](http://people.csail.mit.edu/ingraham/graph-protein-design/data/cath/). You should find two files named `chain_set.jsonl` and `chain_set_splits.json`. Place them inside the directory `${MGEN_DATA_DIR}/modelgenerator/datasets/protein_inv_fold/cath_4.2/`.
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- Then run the bash script in `experiments/AIDO.Protein/protein_inverse_folding` under your installation of [Model Generator](https://github.com/genbio-ai/modelgenerator)
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```
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cd experiments/AIDO.Protein/protein_inverse_folding
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bash prot_inverse_folding.sh
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```
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