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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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github_pages_host
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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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Running python tests at the same time as batch can cause calculation errors .github/workflows/blossom-ci.yml #93: Issue comment #29 (comment) created by scal444
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Fix setup.py (on some python versions), and rework cuda targets .github/workflows/blossom-ci.yml #92: Issue comment #68 (comment) created by greptile-apps bot
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Check CUDA 13 support .github/workflows/blossom-ci.yml #91: Issue comment #34 (comment) created by scal444
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Use CUB DeviceReduce::ArgMax for Butina clustering with CCCL version detection .github/workflows/blossom-ci.yml #90: Issue comment #67 (comment) created by scal444
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Use CUB DeviceReduce::ArgMax for Butina clustering with CCCL version detection .github/workflows/blossom-ci.yml #89: Issue comment #67 (comment) created by greptile-apps bot
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Final Butina PR for v0.3 - remove strict/non strict path, sort keys ourselves .github/workflows/blossom-ci.yml #88: Issue comment #66 (comment) created by greptile-apps bot
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Update for-loops in permol optimizer kernels .github/workflows/blossom-ci.yml #87: Issue comment #65 (comment) created by greptile-apps bot
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Add hybrid BFGS backend that will choose at runtime between the backends based on size. .github/workflows/blossom-ci.yml #86: Issue comment #64 (comment) created by greptile-apps bot
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Templates dimension and stride in permol kernels .github/workflows/blossom-ci.yml #85: Issue comment #63 (comment) created by scal444
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Dynamic neighborlist for Butina clustering .github/workflows/blossom-ci.yml #84: Issue comment #62 (comment) created by scal444
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Templates dimension and stride in permol kernels .github/workflows/blossom-ci.yml #83: Issue comment #63 (comment) created by greptile-apps bot
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Dynamic neighborlist for Butina clustering .github/workflows/blossom-ci.yml #82: Issue comment #62 (comment) created by greptile-apps bot
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Use shared memory positions in per molecule small kernels .github/workflows/blossom-ci.yml #81: Issue comment #61 (comment) created by greptile-apps bot
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Draft: Rework MMFF loop to warp iteration .github/workflows/blossom-ci.yml #80: Issue comment #60 (comment) created by greptile-apps bot
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Remove separate dispatch for per molecule kernel sizes. Now choose one kernel based on max size. .github/workflows/blossom-ci.yml #79: Issue comment #59 (comment) created by greptile-apps bot
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Add mark_warp_uniform to help compiler see values that are identical across warp. .github/workflows/blossom-ci.yml #78: Issue comment #58 (comment) created by greptile-apps bot
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Add small cluster neighborlist path to Butina implementation .github/workflows/blossom-ci.yml #77: Issue comment #57 (comment) created by scal444
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Add small cluster neighborlist path to Butina implementation .github/workflows/blossom-ci.yml #76: Issue comment #57 (comment) created by greptile-apps bot
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Fix various possible memory and overflow issues .github/workflows/blossom-ci.yml #75: Issue comment #56 (comment) created by greptile-apps bot
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CI test 4 .github/workflows/blossom-ci.yml #74: Issue comment #46 (comment) created by scal444
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Fix stream ordering bug in device pointers .github/workflows/blossom-ci.yml #73: Issue comment #55 (comment) created by greptile-apps bot
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CI test 4 .github/workflows/blossom-ci.yml #72: Issue comment #46 (comment) created by scal444
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3m 24s