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Name OC20_S2EF_train_200K
Extended ID OC20_S2EF_train_200K_ChanussotDasGoyalLavrilShuaibiRiviereTranHeras-DomingoHoHuPalizhatiSriramWoodYoonParikhZitnickUlissi__DS_zdy2xz6y88nl_0
Description OC20_S2EF_train_200K is the 200K subset of the OC20 Structure to Energy and Forces dataset.
Authors Lowik Chanussot
Abhishek Das
Siddharth Goyal
Thibaut Lavril
Muhammed Shuaibi
Morgane Riviere
Kevin Tran
Javier Heras-Domingo
Caleb Ho
Weihua Hu
Aini Palizhati
Anuroop Sriram
Brandon Wood
Junwoong Yoon
Devi Parikh
C. Lawrence Zitnick
Zachary Ulissi
DOI 10.60732/56a0adb7

Cite as: Chanussot, L., Das, A., Goyal, S., Lavril, T., Shuaibi, M., Riviere, M., Tran, K., Heras-Domingo, J., Ho, C., Hu, W., Palizhati, A., Sriram, A., Wood, B., Yoon, J., Parikh, D., Zitnick, C. L., and Ulissi, Z. "OC20 S2EF train 200K." ColabFit, 2024.
For other citation formats, see the DataCite Fabrica page for this dataset.
Elements Ag (1.57%)
Al (3.41%)
As (2.15%)
Au (1.64%)
B (0.03%)
Bi (0.95%)
C (2.36%)
Ca (2.2%)
Cd (0.89%)
Cl (2.26%)
Co (1.11%)
Cr (0.89%)
Cs (0.5%)
Cu (1.84%)
Fe (0.92%)
Ga (2.81%)
Ge (1.92%)
H (5.59%)
Hf (2.15%)
Hg (1.02%)
In (2.09%)
Ir (1.0%)
K (1.39%)
Mn (0.92%)
Mo (1.2%)
N (2.38%)
Na (1.93%)
Nb (1.37%)
Ni (1.97%)
O (1.44%)
Os (0.46%)
P (2.85%)
Pb (1.03%)
Pd (2.55%)
Pt (2.01%)
Rb (0.81%)
Re (0.56%)
Rh (1.74%)
Ru (1.03%)
S (6.14%)
Sb (1.61%)
Sc (1.39%)
Se (3.69%)
Si (3.0%)
Sn (1.84%)
Sr (1.29%)
Ta (1.38%)
Tc (0.54%)
Te (3.01%)
Ti (2.99%)
Tl (0.91%)
V (1.5%)
W (0.68%)
Y (1.45%)
Zn (1.85%)
Zr (1.79%)
Number of Data Objects 200,000
Number of Configurations 199,999
Number of Atoms 14,631,866
Configuration Sets by Name (None)
Configuration Sets by ID (None)
Data Objects Too many to display
ColabFit ID DS_zdy2xz6y88nl_0
Files colabfitspec.json

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