Commit History
Yesterday
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Add evaluated crossdocked-scaffold checkpoint and metrics; simplify GEOM scaffold name
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4 days ago
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Highlight scaffold decoration and add five-metric evaluation tables
Verified signatureAdd separate collapsible tables for all 10 unconditional checkpoints and GEOM scaffold decoration. Report only novelty, PoseBusters validity, diversity, uniqueness, and connected-sanitization validity as mean +/- sample SD across seeds 42, 43, and 44. Document sample counts, metric populations, and the distinct scaffold PoseBusters protocol.53b24bb
11 days ago
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Discover QM9 and GEOM epoch 100; order model tables QM9, GEOM-Drugs, ChEMBL
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12 days ago
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Place training config bundles alongside each model and simplify documentation
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Document pinned inference and reproducible training recipes; add paper citation
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Document ChEMBL3D and GEOM checkpoints with shared inference quickstart
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13 days ago
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Add ChEMBL3D explicit-H epochs 200/300/400 and implicit-H epochs 100/200/300 with inference bundles
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