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Adds support for reordering=False in Butina clustering Lint #283: Pull request #220 opened by Matthew-Neba
Action required Matthew-Neba:main
Matthew-Neba:main
Action required
Adds support for reordering=False in Butina clustering Conda Forge Local Build #296: Pull request #220 opened by Matthew-Neba
Action required Matthew-Neba:main
Matthew-Neba:main
Action required
Adds support for reordering=False in Butina clustering C++ Build & Test #236: Pull request #220 opened by Matthew-Neba
Action required Matthew-Neba:main
Matthew-Neba:main
Action required
[FIRE 2/N] FIRE kernels and minimizer Lint #282: Pull request #219 opened by scal444
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[FIRE 2/N] FIRE kernels and minimizer C++ Build & Test #235: Pull request #219 opened by scal444
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[FIRE 2/N] FIRE kernels and minimizer Conda Forge Local Build #295: Pull request #219 opened by scal444
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Fix DG torsion sixth-order gradient (#217) Lint #281: Commit 331be7d pushed by scal444
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Fix DG torsion sixth-order gradient (#217) Conda Forge Local Build #294: Commit 331be7d pushed by scal444
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Fix DG torsion sixth-order gradient (#217) C++ Build & Test #234: Commit 331be7d pushed by scal444
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[Draft] Full FIRE implementation .github/workflows/blossom-ci.yml #335: Issue comment #218 (comment) created by scal444
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[Draft] Full FIRE implementation Lint #280: Pull request #218 opened by scal444
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[Draft] Full FIRE implementation C++ Build & Test #233: Pull request #218 opened by scal444
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[Draft] Full FIRE implementation Conda Forge Local Build #293: Pull request #218 opened by scal444
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Fix DG torsion sixth-order gradient, adjust tests for RDKit mismatch .github/workflows/blossom-ci.yml #334: Issue comment #217 (comment) created by scal444
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Fix DG torsion sixth-order gradient, adjust tests for RDKit mismatch Lint #279: Pull request #217 opened by scal444
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Fix DG torsion sixth-order gradient, adjust tests for RDKit mismatch C++ Build & Test #232: Pull request #217 opened by scal444
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Fix DG torsion sixth-order gradient, adjust tests for RDKit mismatch Conda Forge Local Build #292: Pull request #217 opened by scal444
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pages build and deployment pages-build-deployment #19: by scal444
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Release v0.5.1 C++ Build & Test #231: Pull request #215 opened by scal444
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Release v0.5.1 Conda Forge Local Build #291: Pull request #215 opened by scal444
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Release v0.5.1 Lint #278: Pull request #215 opened by scal444
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Fix recursive SMARTS extraction with pip RDKit Lint #277: Commit ad4124e pushed by scal444
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Fix recursive SMARTS extraction with pip RDKit C++ Build & Test #230: Commit ad4124e pushed by scal444
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Fix recursive SMARTS extraction with pip RDKit Conda Forge Local Build #290: Commit ad4124e pushed by scal444
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Document torch CUDA backend install fixes Conda Forge Local Build #289: Commit 8f08dc0 pushed by scal444
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