Curated ProteinMPNN training dataset The multi chain training data for ProteinMPNN Quickstart Usage Install HuggingFace Datasets package Each subset can be loaded into python using the Huggingface datasets library. First, from the command line install the datasets library $ pip install datasets Optionally set the cache directory, e.g. $ HF HOME=${HOME}/.cache/huggingface/ $ export HF HOME then, from within python load the datasets library import datasets Load model datasets To load one of the group mpnn model datasets, use datasets.load dataset(...) : dataset tag = "train" dataset models = datasets.load dataset( path = "leebecca/group mpnn", name = f"{dataset tag} models", data dir = f"{dataset tag}")['train'] and the dataset is loaded as a datasets.arrow dataset.Dataset dataset models Dataset({ features: ['id', 'pdb', 'Filter Stage2 aBefore', 'Filter Stage2 bQuarter', 'Filter Stage2 cHalf', 'Filter Stage2 dEnd', 'clashes bb', 'clashes total', 'score', 'silent score', 'time'], num rows: 211069 }) which is a column oriented format that can be accessed directly, converted in to a pandas.DataFrame , or parquet format, e.g. dataset models.data.column('pdb') dataset models.to pandas() d…
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