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- Status: Open.#87 In diff-use/WaterFlow;
Track waters in the dataset that have no EDIA data when the EDIA file exists
enhancementNew feature or requestNew feature or requestlow prioritynot a blocking/functional issuenot a blocking/functional issueStatus: Open.#76 In diff-use/WaterFlow;Add instructions to generate EDIA data
bugSomething isn't workingSomething isn't workinglow prioritynot a blocking/functional issuenot a blocking/functional issueStatus: Open.#75 In diff-use/WaterFlow;- Status: Open.#73 In diff-use/WaterFlow;
Dealing with alt-locs and partial occupancy for waters
enhancementNew feature or requestNew feature or requestStatus: Open.#71 In diff-use/WaterFlow;Deciding exact methodology for selecting waters and their positions with crystal contacts.
enhancementNew feature or requestNew feature or requestStatus: Open.#68 In diff-use/WaterFlow;Store the processing metadata when generating cache
enhancementNew feature or requestNew feature or requestStatus: Open.#66 In diff-use/WaterFlow;Cleaning up structure of input files to the pipeline
enhancementNew feature or requestNew feature or requestStatus: Open.#65 In diff-use/WaterFlow;Re-factor code to avoid repeated code
enhancementNew feature or requestNew feature or requestStatus: Open.#60 In diff-use/WaterFlow;Track RBF cutoff/radius in checkpoint args dict
bugSomething isn't workingSomething isn't workingStatus: Open.#59 In diff-use/WaterFlow;Add correctness tests for Euler/RK4 integration
enhancementNew feature or requestNew feature or requestStatus: Open.#58 In diff-use/WaterFlow;Add tests to increase coverage of
gvp_encoder.pyandutils.pyto > 80%enhancementNew feature or requestNew feature or requestStatus: Open.#56 In diff-use/WaterFlow;