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hpcaitech / FastFold

Optimizing AlphaFold Training and Inference on GPU Clusters
Apache License 2.0
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added relaxation argument to select whether to run the relax operation #146

Closed double-vin closed 1 year ago

double-vin commented 1 year ago

For monomer, there is no significant difference between running relax and not running relax. For multimer, relax will take a long time. In summary, if you can select relax, it will be more convenient. Added argument and not save the relaxed PDB by default.

Shenggan commented 1 year ago

LGTM, thank you for your contribution to the FastFold project!