BAGEL is a model-agnostic, modular, fully customizable Python framework for programmable protein design. The package formalizes the protein design task as an optimization (sampling) over an energy ...
If you have trouble following the instruction below, feel free to join OSCER weekly zoom help sessions. To load a specific version of python, such as Python/3.10.8-GCCcore-12.2.0, type: module load ...
FragFM is a hierarchical fragment-level discrete flow matching framework that generates molecular graphs via stochastic fragment bags and lossless coarse-to-fine atom-level reconstruction. conda ...
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