conda create -n ppflow python==3.9 conda activate ppflow If you want to evaluate the peptides directly, we provide the peptides as codesign_results.tar.gz from our google drive, which consists of 20 ...
The ORCA Python Interface (OPI) is a Python library to create input and parse output of ORCA. It is designed as an open source community effort to make ORCA calculations as accessible as possible and ...
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