Perturb ESM3 tokens to generate protein conformational ensembles.
Download ESM3-small-open from https://huggingface.co/EvolutionaryScale/esm3-sm-open-v1 and put in the folder ./weights.
The running command:
python perturb_md.py --input_pdb ./input/6uof_A.pdb --output_path ./output/6uof_A
The generated pdb files will be in the folder ./output/6uof_A.
Generated |
MD |
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