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Conformer RMSD behavior does not match RDKit
bugSomething isn't workingSomething isn't workingenhancementNew feature or requestNew feature or requestStatus: Open.#277 In NVIDIA-BioNeMo/nvMolKit;Undocumented v0.6.0 butina API break
bugSomething isn't workingSomething isn't workingdocumentationImprovements or additions to documentationImprovements or additions to documentationStatus: Open.#269 In NVIDIA-BioNeMo/nvMolKit;Investigate better single-query scaling for tanimoto similarity calculations
enhancementNew feature or requestNew feature or requestStatus: Open.#268 In NVIDIA-BioNeMo/nvMolKit;Further CPU optimizations for fingerprint preprocessing
enhancementNew feature or requestNew feature or requestStatus: Open.#267 In NVIDIA-BioNeMo/nvMolKit;Explore lower precision for BFGS/FIRE/forcefields
enhancementNew feature or requestNew feature or requestStatus: Open.#266 In NVIDIA-BioNeMo/nvMolKit;Benchmarks: time_it with Deadline
enhancementNew feature or requestNew feature or requestStatus: Open.#186 In NVIDIA-BioNeMo/nvMolKit;- Status: Open.#161 In NVIDIA-BioNeMo/nvMolKit;
Device output Pruning for ETKDG
enhancementNew feature or requestNew feature or requestStatus: Open.#160 In NVIDIA-BioNeMo/nvMolKit;Add python test build to CI
enhancementNew feature or requestNew feature or requestStatus: Open.#158 In NVIDIA-BioNeMo/nvMolKit;- Status: Open.#151 In NVIDIA-BioNeMo/nvMolKit;