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SandboxAQ/aqcat25-dataset

Viewer • Updated Oct 30, 2025 • 11.1M • 115 • 38

jablonkagroup/chempile-code

Viewer • Updated Aug 13, 2025 • 2.27M • 262 • 5

zihaojing/MuMo-Finetuning

Viewer • Updated Oct 29, 2025 • 420k • 167

Kai-Zhu-2001/SelfTICA

Updated 23 days ago • 102

entropy4energy/S4E-MatForge

Updated Dec 10, 2025 • 20

yunhengzounvidia/geomconf-rlvr

Viewer • Updated Feb 2 • 10k • 11

SZU-ADDG/ZINC-Curated

Viewer • Updated Feb 22 • 553M • 397 • 2

openadmet/pxr-challenge-train-test

Viewer • Updated 3 days ago • 29.8k • 1.4k • 17

SandboxAQ/aqvolt26-dataset-subset

Viewer • Updated Apr 7 • 457 • 10

introvoyz041/ZINC-Curated

Viewer • Updated Mar 25 • 553M • 145

introvoyz041/pxr-challenge-train-test

Viewer • Updated Apr 1 • 28.6k • 36

Zhenghang04/DeepSeek_DrugSmiles

Updated May 21 • 19 • 3

microsoft/msr-acc-tae25

Viewer • Updated Apr 24 • 72.6k • 60 • 6

Kaipengm2/CrystalX-dataset

Updated Apr 25 • 19

anisiraj/comp-chem-quantum-chem

Viewer • Updated May 31 • 6.25k • 13

Anny0316/SelfTICA

Updated 16 days ago • 763

JawLeighy/GoldDIGR

Preview • Updated 7 days ago • 1.35k

JawLeighy/GoldDIGR-calculation-intermediates

Preview • Updated 3 days ago • 749