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Butina clustering centroid .github/workflows/blossom-ci.yml #117: Issue comment #74 (comment) created by scal444
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Add optional centroid reporting to Butina clustering .github/workflows/blossom-ci.yml #116: Issue comment #82 (comment) created by greptile-apps bot
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Torsional Fingerprint Support .github/workflows/blossom-ci.yml #115: Issue comment #71 (comment) created by scal444
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Implement substructure search with full recursion .github/workflows/blossom-ci.yml #114: Issue comment #81 (comment) created by greptile-apps bot
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Add substruct algorithms .github/workflows/blossom-ci.yml #113: Issue comment #80 (comment) created by greptile-apps bot
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Add thread safe queue .github/workflows/blossom-ci.yml #112: Issue comment #79 (comment) created by greptile-apps bot
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Add Graph Labeling kernel and tests .github/workflows/blossom-ci.yml #111: Issue comment #78 (comment) created by greptile-apps bot
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Add Pinned Host pool and device timing utilities .github/workflows/blossom-ci.yml #110: Issue comment #77 (comment) created by greptile-apps bot
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Add Substruct Query Parsing and Query Molecule definitions + Tests .github/workflows/blossom-ci.yml #109: Issue comment #76 (comment) created by greptile-apps bot
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Add Substructure Molecule Batch definitions and helpers .github/workflows/blossom-ci.yml #108: Issue comment #75 (comment) created by scal444
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Add Substructure Molecule Batch definitions and helpers .github/workflows/blossom-ci.yml #107: Issue comment #75 (comment) created by greptile-apps bot
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Substructure: Atom data and boolean tree + tests .github/workflows/blossom-ci.yml #106: Issue comment #73 (comment) created by scal444
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Butina clustering centroid .github/workflows/blossom-ci.yml #105: Issue comment #74 (comment) created by scal444
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Substructure: Atom data and boolean tree + tests .github/workflows/blossom-ci.yml #104: Issue comment #73 (comment) created by greptile-apps bot
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Tautomer generation speed up .github/workflows/blossom-ci.yml #103: Issue comment #2 (comment) created by pechersky
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Torsional Fingerprint Support .github/workflows/blossom-ci.yml #102: Issue comment #71 (comment) created by SabariKumar
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Tautomer generation speed up .github/workflows/blossom-ci.yml #101: Issue comment #2 (comment) created by scal444
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Torsional Fingerprint Support .github/workflows/blossom-ci.yml #100: Issue comment #71 (comment) created by scal444
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nvidia-smi doesnt detect work done by the liberary .github/workflows/blossom-ci.yml #99: Issue comment #44 (comment) created by Vivek32Singh
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feat(butina): Replace CPU loops with CUDA Graph conditional WHILE nodes .github/workflows/blossom-ci.yml #98: Issue comment #72 (comment) created by greptile-apps bot
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feat(butina): Replace CPU loops with CUDA Graph conditional WHILE nodes .github/workflows/blossom-ci.yml #97: Issue comment #72 (comment) created by greptile-apps bot
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Torsional Fingerprint Support .github/workflows/blossom-ci.yml #96: Issue comment #71 (comment) created by scal444
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Forcefield variants and properties addition .github/workflows/blossom-ci.yml #95: Issue comment #70 (comment) created by scal444
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pages build and deployment pages-build-deployment #12: by scal444
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Running python tests at the same time as async can cause memory issues .github/workflows/blossom-ci.yml #94: Issue comment #28 (comment) created by scal444
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