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Datasets

12
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Active filters: computational-chemistry

openadmet/pxr-challenge-train-test

Viewer • Updated 12 days ago • 28.7k • 3.26k • 13

jablonkagroup/chempile-code

Viewer • Updated Aug 13, 2025 • 2.27M • 243 • 5

SandboxAQ/aqcat25-dataset

Viewer • Updated Oct 30, 2025 • 11.1M • 99 • 36

zihaojing/MuMo-Finetuning

Viewer • Updated Oct 29, 2025 • 420k • 215

entropy4energy/S4E-MatForge

Updated Dec 10, 2025 • 16

yunhengzounvidia/geomconf-rlvr

Viewer • Updated Feb 2 • 10k • 23

SZU-ADDG/ZINC-Curated

Viewer • Updated Feb 22 • 553M • 2.56k • 2

SandboxAQ/aqvolt26-dataset-subset

Viewer • Updated Apr 7 • 457 • 24

introvoyz041/ZINC-Curated

Viewer • Updated Mar 25 • 553M • 881

introvoyz041/pxr-challenge-train-test

Viewer • Updated Apr 1 • 28.6k • 53

microsoft/msr-acc-tae25

Viewer • Updated 24 days ago • 72.6k • 686 • 5

Kaipengm2/CrystalX-dataset

Updated 22 days ago • 103
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