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Add UFF forcefield C++ implementation (#123) Conda Forge Local Build #6: Commit a6d6195 pushed by evasnow1992
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Add UFF forcefield C++ implementation (#123) Lint #4: Commit a6d6195 pushed by evasnow1992
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Auto format copyright and add linter (#121) Conda Forge Local Build #5: Commit 1fcf7a7 pushed by evasnow1992
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Auto format copyright and add linter (#121) Lint #3: Commit 1fcf7a7 pushed by evasnow1992
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Add forcefield constraints. Generic but right now just applied to MMF… Lint #2: Commit a0abf2b pushed by evasnow1992
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Add forcefield constraints. Generic but right now just applied to MMF… Conda Forge Local Build #4: Commit a0abf2b pushed by evasnow1992
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13m 21s
Consolidate benchmark timing wrappers into shared utility (#118) Lint #1: Commit e96a1f9 pushed by evasnow1992
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Consolidate benchmark timing wrappers into shared utility (#118) Conda Forge Local Build #3: Commit e96a1f9 pushed by evasnow1992
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Update CHANGELOG.md with 0.3.0 and 0.4.0 release notes (#115) Conda Forge Local Build #2: Commit 44394f9 pushed by evasnow1992
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Add GPU-accelerated conformer RMSD matrix computation (#105) Conda Forge Local Build #1: Commit f5b7a7b pushed by evasnow1992
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