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1. Commits on Apr 18, 2024

   • Dimaio/remove old scoreterms (#297)

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2. Commits on Jul 10, 2019

   • Add comparative benchmark and benchmark docs. (#211)

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     Alex Ford

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3. Commits on May 15, 2019

   • Dimaio/modernize lk ball (#198)

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4. Commits on Feb 27, 2019

   • Add nvprof profiling hook and dev utils. (#183)

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     Alex Ford

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5. Commits on Feb 15, 2019

   • Test and build adjustments for benchmarking. (#181)

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     Alex Ford

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6. Commits on Jan 31, 2019

   • Add lk_ball baseline potential implementation. (#169)

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     Alex Ford

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7. Commits on Jan 30, 2019

   • Add compare_benchmark dev utility. (#166)

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     Alex Ford

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8. Commits on Dec 21, 2018

   • Replace torch lj/lk potentials with numba-based baselines. (#130)

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     Alex Ford

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9. Commits on Jul 3, 2018

   • Add dev-mode benchmark scripts and fixup argument passing. (#77)

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     Alex Ford

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10. Commits on Feb 15, 2018

    • Move pdb_parsing into module.

      

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11. Commits on Feb 14, 2018

    • Vendorize extern/py3dmol at 854f0b5

      

      Alex Ford

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    • Add numeric shape traits prototype nb.

      

      Alex Ford

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12. Commits on Feb 13, 2018

    • Very simple polybb/lj model.

      

      Alex Ford

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    • Inline pdb_parsing from interface_fragment_matching repo.

      

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    • Vendorize py3dmol.

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    • Add guvectorize cross produce test notebook.

      

      Alex Ford

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