jablonkagroup/chempile-code
Viewer • Updated • 2.27M • 374 • 5
Edit Datasets filters
Active filters: computational-chemistry
SandboxAQ/aqcat25-dataset
Viewer • Updated • 11.1M • 111 • 36
zihaojing/MuMo-Finetuning
Viewer • Updated • 420k • 391
Kai-Zhu-2001/SelfTICA
Updated • 2.81k
entropy4energy/S4E-MatForge
Updated • 33
yunhengzounvidia/geomconf-rlvr
Viewer • Updated • 10k • 26
SZU-ADDG/ZINC-Curated
Viewer • Updated • 553M • 2.49k • 2
openadmet/pxr-challenge-train-test
Viewer • Updated • 28.7k • 2.98k • 13
SandboxAQ/aqvolt26-dataset-subset
Viewer • Updated • 457 • 40
introvoyz041/ZINC-Curated
Viewer • Updated • 553M • 945
introvoyz041/pxr-challenge-train-test
Viewer • Updated • 28.6k • 57
Zhenghang04/DeepSeek_DrugSmiles
Updated • 207 • 3
microsoft/msr-acc-tae25
Viewer • Updated • 72.6k • 491 • 5
Kaipengm2/CrystalX-dataset
Updated • 107