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Datasets

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Active filters: computational-chemistry

openadmet/pxr-challenge-train-test

Viewer • Updated 9 days ago • 28.6k • 1.56k • 11

jablonkagroup/chempile-code

Viewer • Updated Aug 13, 2025 • 2.27M • 234 • 5

SandboxAQ/aqcat25-dataset

Viewer • Updated Oct 30, 2025 • 11.1M • 63 • 33

zihaojing/MuMo-Finetuning

Viewer • Updated Oct 29, 2025 • 420k • 169

entropy4energy/S4E-MatForge

Updated Dec 10, 2025 • 7

yunhengzounvidia/geomconf-rlvr

Viewer • Updated Feb 2 • 10k • 16

SZU-ADDG/ZINC-Curated

Viewer • Updated Feb 22 • 553M • 3.59k • 2

SandboxAQ/aqvolt26-dataset-subset

Viewer • Updated 11 days ago • 457 • 82

introvoyz041/ZINC-Curated

Viewer • Updated 24 days ago • 553M • 3.25k

introvoyz041/pxr-challenge-train-test

Viewer • Updated 17 days ago • 28.6k • 38
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