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Topological Descriptors Help Predict Guest Adsorption in Nanoporous
  Materials

Topological Descriptors Help Predict Guest Adsorption in Nanoporous Materials

16 January 2020
Aditi S. Krishnapriyan
Maciej Haranczyk
Dmitriy Morozov
    OOD
ArXivPDFHTML

Papers citing "Topological Descriptors Help Predict Guest Adsorption in Nanoporous Materials"

3 / 3 papers shown
Title
MOFFlow: Flow Matching for Structure Prediction of Metal-Organic Frameworks
MOFFlow: Flow Matching for Structure Prediction of Metal-Organic Frameworks
N. Kim
Seongsu Kim
Minsu Kim
Jinkyoo Park
Sungsoo Ahn
AI4CE
48
1
0
07 Oct 2024
Prediction of $\textrm{CO}_2$ Adsorption in Nano-Pores with Graph Neural
  Networks
Prediction of CO2\textrm{CO}_2CO2​ Adsorption in Nano-Pores with Graph Neural Networks
Guojing Cong
Anshul Gupta
R. Neumann
Maira Gatti de Bayser
Mathias Steiner
B. O. Conchúir
GNN
39
1
0
22 Aug 2022
Topology-Driven Generative Completion of Lacunae in Molecular Data
Topology-Driven Generative Completion of Lacunae in Molecular Data
Dmitry Zubarev
Petar Ristoski
30
0
0
29 Jul 2022
1