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A multi-modal pre-training transformer for universal transfer learning in metal–organic frameworks

Journal Article · · Nature Machine Intelligence

Not provided.

Research Organization:
Ecole Polytechnique Federale Lausanne (EPFL) (Switzerland)
Sponsoring Organization:
USDOE
OSTI ID:
2424363
Journal Information:
Nature Machine Intelligence, Journal Name: Nature Machine Intelligence Journal Issue: 3 Vol. 5; ISSN 2522-5839
Publisher:
Springer Nature
Country of Publication:
United States
Language:
English

References (50)

Algorithms and tools for high-throughput geometry-based analysis of crystalline porous materials journal February 2012
An Image is Worth 16x16 Words: Transformers for Image Recognition at Scale preprint January 2020
Applications of machine learning in metal-organic frameworks journal November 2020
BERT: Pre-training of Deep Bidirectional Transformers for Language Understanding preprint January 2018
Machine learning the quantum-chemical properties of metal–organic frameworks for accelerated materials discovery journal May 2021
Transfer Learning Study of Gas Adsorption in Metal–Organic Frameworks journal July 2020
Topologically Guided, Automated Construction of Metal–Organic Frameworks and Their Evaluation for Energy-Related Applications journal September 2017
VisualBERT: A Simple and Performant Baseline for Vision and Language preprint January 2019
Transferable Potentials for Phase Equilibria. 1. United-Atom Description of n-Alkanes March 1998
Data-driven design of metal–organic frameworks for wet flue gas CO2 capture journal December 2019
MOF-Based Membranes for Gas Separations journal July 2020
Finely tuned inverse design of metal–organic frameworks with user-desired Xe/Kr selectivity journal January 2021
Resolving Transition Metal Chemical Space: Feature Selection for Machine Learning and Structure–Property Relationships journal November 2017
Preferred Hydrogen Adsorption Sites in Various MOFs-A Comparative Computational Study journal October 2009
Energy-based descriptors to rapidly predict hydrogen storage in metal–organic frameworks journal January 2019
MOFSimplify, machine learning models with extracted stability data of three thousand metal–organic frameworks journal March 2022
Advances, Updates, and Analytics for the Computation-Ready, Experimental Metal–Organic Framework Database: CoRE MOF 2019 journal November 2019
Hydrogen storage mechanism and diffusion in metal–organic frameworks journal January 2019
Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals journal April 2019
Metal–Organic Frameworks as A Tunable Platform for Designing Functional Molecular Materials journal August 2013
Green synthesis of metal–organic frameworks: A state-of-the-art review of potential environmental and medical applications journal October 2020
High-throughput computational screening of metal–organic frameworks journal January 2014
UniT: Multimodal Multitask Learning with a Unified Transformer conference October 2021
Machine Learning Meets with Metal Organic Frameworks for Gas Storage and Separation journal April 2021
Inverse design of nanoporous crystalline reticular materials with deep generative models journal January 2021
Computational Screening of Trillions of Metal–Organic Frameworks for High-Performance Methane Storage journal May 2021
The materials genome in action: identifying the performance limits for methane storage journal January 2015
Application of transfer learning to predict diffusion properties in metal–organic frameworks journal January 2022
The Current Status of MOF and COF Applications journal July 2021
Interpretable Graph Transformer Network for Predicting Adsorption Isotherms of Metal–Organic Frameworks journal November 2022
Predicting hydrogen storage in MOFs via machine learning journal July 2021
Decoupled Weight Decay Regularization preprint January 2017
MOFTransformer dataset January 2022
Understanding the diversity of the metal-organic framework ecosystem journal August 2020
The Reticular Chemistry Structure Resource (RCSR) Database of, and Symbols for, Crystal Nets journal December 2008
Large-Pore Apertures in a Series of Metal-Organic Frameworks journal May 2012
QMOF Database dataset January 2021
Recent advances, opportunities, and challenges in high-throughput computational screening of MOFs for gas separations journal November 2020
Fast Parallel Algorithms for Short-Range Molecular Dynamics journal March 1995
Exploring the performance limits of MOF/polymer MMMs for O2/N2 separation using computational screening journal January 2021
Die Berechnung optischer und elektrostatischer Gitterpotentiale journal January 1921
UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations journal December 1992
Improving MOF stability: approaches and applications journal January 2019
1 million hypothetical MOFs dataset January 2023
Using Machine Learning and Data Mining to Leverage Community Knowledge for the Engineering of Stable Metal–Organic Frameworks journal October 2021
Crystal Graph Convolutional Neural Networks for an Accurate and Interpretable Prediction of Material Properties journal April 2018
Metal–organic framework materials as catalysts journal January 2009
RASPA: molecular simulation software for adsorption and diffusion in flexible nanoporous materials journal February 2015
MOFormer: Self-Supervised Transformer model for Metal-Organic Framework Property Prediction preprint January 2022
Prediction of O2/N2 Selectivity in Metal–Organic Frameworks via High-Throughput Computational Screening and Machine Learning journal December 2021

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