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added ReBind QM9 baseline; organometallic models running (#1) Pre-commit #30: Commit 81df1eb pushed by jwtoney
1m 1s main
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added ReBind QM9 baseline; organometallic models running Pre-commit #29: Pull request #1 synchronize by jwtoney
49s rebind_baseline
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Compare all six runs, and record that ReBind's rewiring never fires Pre-commit #28: Commit e40c186 pushed by jwtoney
46s rebind_baseline
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added ReBind QM9 baseline; organometallic models running Pre-commit #27: Pull request #1 synchronize by jwtoney
48s rebind_baseline
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Dump per-molecule true and predicted structures to CSV Pre-commit #26: Commit 24d307d pushed by jwtoney
45s rebind_baseline
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added ReBind QM9 baseline; organometallic models running Pre-commit #25: Pull request #1 synchronize by jwtoney
44s rebind_baseline
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Add heavy-atom training: remove_hs drops hydrogens from the graph Pre-commit #24: Commit ef02ac4 pushed by jwtoney
42s rebind_baseline
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added ReBind QM9 baseline; organometallic models running Pre-commit #23: Pull request #1 synchronize by jwtoney
55s rebind_baseline
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Exclude hydrogens from the aligned-coordinate RMSD too Pre-commit #22: Commit 00ae17d pushed by jwtoney
45s rebind_baseline
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added ReBind QM9 baseline; organometallic models running Pre-commit #21: Pull request #1 synchronize by jwtoney
45s rebind_baseline
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Drop rebind_utils.py now that its LJ values live in the package Pre-commit #20: Commit f85040b pushed by jwtoney
46s rebind_baseline
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added ReBind QM9 baseline; organometallic models running Pre-commit #19: Pull request #1 synchronize by jwtoney
55s rebind_baseline
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Flag the organometallic results as pre-dating the LJ fix Pre-commit #18: Commit c214a00 pushed by jwtoney
45s rebind_baseline
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added ReBind QM9 baseline; organometallic models running Pre-commit #17: Pull request #1 synchronize by jwtoney
45s rebind_baseline
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Flag the organometallic results as pre-dating the LJ fix Pre-commit #16: Commit f7ab2f9 pushed by jwtoney
57s rebind_baseline
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added ReBind QM9 baseline; organometallic models running Pre-commit #15: Pull request #1 synchronize by jwtoney
51s rebind_baseline
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Add GTMGC, fix the metric protocol, and carry the full LJ table Pre-commit #14: Commit d681494 pushed by jwtoney
41s rebind_baseline
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added ReBind QM9 baseline; organometallic models running Pre-commit #13: Pull request #1 synchronize by luispintoc
54s rebind_baseline
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Fix ruff line length and typing in rebind_utils.py so pre-commit passes. Pre-commit #12: Commit c76a492 pushed by luispintoc
42s rebind_baseline
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added ReBind QM9 baseline; organometallic models running Pre-commit #11: Pull request #1 synchronize by luispintoc
41s rebind_baseline
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Add utils with all LJ parameters Pre-commit #10: Commit 11304c3 pushed by luispintoc
39s rebind_baseline
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added ReBind QM9 baseline; organometallic models running Pre-commit #9: Pull request #1 synchronize by jwtoney
44s rebind_baseline
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Remove personal Slurm wrapper jobscript.sh Pre-commit #8: Commit 675a643 pushed by jwtoney
45s rebind_baseline
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added ReBind QM9 baseline; organometallic models running Pre-commit #7: Pull request #1 synchronize by jwtoney
53s rebind_baseline
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addressed requested changes Pre-commit #6: Commit 46cc29d pushed by jwtoney
45s rebind_baseline
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