ABFE run using brd and cmpd 9 (methoxyethyl)

graph LR; %% Define styles for statuses: classDef NotStarted fill:#cccccc,stroke:#333,stroke-width:2px; classDef Queued fill:#cccccc,stroke:#222,stroke-width:2px; classDef Succeeded fill:#90ee90,stroke:#333,stroke-width:2px; classDef Running fill:#87CEFA,stroke:#333,stroke-width:2px; classDef Failed fill:#ff7f7f,stroke:#333,stroke-width:2px; init(Init):::NotStarted; complex(Complex Prep):::NotStarted; ligand(Ligand Prep):::NotStarted; solvation(Solvation FEP):::NotStarted; simple_md(Simple MD):::NotStarted; binding(Binding FEP):::NotStarted; delta_g(ΔG):::NotStarted; init --> complex; init --> ligand; ligand ----> solvation; solvation --> delta_g; complex ---> simple_md --> binding -->delta_g;
NotStarted Succeeded Running Failed
executionID resourceID Status Started At Running Time
74459b7a-24f9-44dd-81ec-797695df66ce r9gza2ibf7y8zf3ktxjob Running a minute ago None
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