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MOFormer: Self-Supervised Transformer model for Metal-Organic Framework
  Property Prediction

MOFormer: Self-Supervised Transformer model for Metal-Organic Framework Property Prediction

25 October 2022
Zhonglin Cao
Rishikesh Magar
Yuyang Wang
A. Farimani
    AI4CE
ArXivPDFHTML

Papers citing "MOFormer: Self-Supervised Transformer model for Metal-Organic Framework Property Prediction"

19 / 19 papers shown
Title
34 Examples of LLM Applications in Materials Science and Chemistry: Towards Automation, Assistants, Agents, and Accelerated Scientific Discovery
34 Examples of LLM Applications in Materials Science and Chemistry: Towards Automation, Assistants, Agents, and Accelerated Scientific Discovery
Yoel Zimmermann
Adib Bazgir
Alexander H Al-Feghali
Mehrad Ansari
L. C. Brinson
...
Shang Zhu
Jan Janssen
Calvin Li
Ian T. Foster
B. Blaiszik
31
0
0
05 May 2025
Symmetry-Informed Graph Neural Networks for Carbon Dioxide Isotherm and Adsorption Prediction in Aluminum-Substituted Zeolites
Symmetry-Informed Graph Neural Networks for Carbon Dioxide Isotherm and Adsorption Prediction in Aluminum-Substituted Zeolites
M. Petković
José-Manuel Vicent Luna
El\=ıza Beate Dinne
Vlado Menkovski
Sofía Calero
AI4CE
32
0
0
26 Mar 2025
PolyCL: Contrastive Learning for Polymer Representation Learning via
  Explicit and Implicit Augmentations
PolyCL: Contrastive Learning for Polymer Representation Learning via Explicit and Implicit Augmentations
Jiajun Zhou
Yijie Yang
Austin M. Mroz
Kim E. Jelfs
SSL
14
1
0
14 Aug 2024
MatText: Do Language Models Need More than Text & Scale for Materials
  Modeling?
MatText: Do Language Models Need More than Text & Scale for Materials Modeling?
Nawaf Alampara
Santiago Miret
K. Jablonka
37
8
0
25 Jun 2024
Machine Learning Based Prediction of Proton Conductivity in
  Metal-Organic Frameworks
Machine Learning Based Prediction of Proton Conductivity in Metal-Organic Frameworks
Seunghee Han
Byeong Gwan Lee
Dae Woon Lim
Jihan Kim
AI4CE
19
2
0
18 Jun 2024
Strategies for Pretraining Neural Operators
Strategies for Pretraining Neural Operators
Anthony Y. Zhou
Cooper Lorsung
AmirPouya Hemmasian
Amir Barati Farimani
AI4CE
34
4
0
12 Jun 2024
AlloyBERT: Alloy Property Prediction with Large Language Models
AlloyBERT: Alloy Property Prediction with Large Language Models
Akshat Chaudhari
Chakradhar Guntuboina
Hongshuo Huang
A. Farimani
16
4
0
28 Mar 2024
Pretraining Strategy for Neural Potentials
Pretraining Strategy for Neural Potentials
Zehua Zhang
Zijie Li
A. Farimani
AI4CE
29
0
0
24 Feb 2024
Trillion Parameter AI Serving Infrastructure for Scientific Discovery: A
  Survey and Vision
Trillion Parameter AI Serving Infrastructure for Scientific Discovery: A Survey and Vision
Nathaniel Hudson
J. G. Pauloski
Matt Baughman
Alok V. Kamatar
Mansi Sakarvadia
...
Owen Price Skelly
B. Blaiszik
Rick L. Stevens
Kyle Chard
Ian T. Foster
MedIm
8
8
0
05 Feb 2024
Accelerating Material Property Prediction using Generically Complete
  Isometry Invariants
Accelerating Material Property Prediction using Generically Complete Isometry Invariants
Jonathan Balasingham
Viktor Zamaraev
V. Kurlin
6
5
0
22 Jan 2024
An Interdisciplinary Outlook on Large Language Models for Scientific
  Research
An Interdisciplinary Outlook on Large Language Models for Scientific Research
James Boyko
Joseph Cohen
Nathan Fox
Maria Han Veiga
Jennifer I-Hsiu Li
...
Andreas H. Rauch
Kenneth N. Reid
Soumi Tribedi
Anastasia Visheratina
Xin Xie
29
17
0
03 Nov 2023
From Molecules to Materials: Pre-training Large Generalizable Models for
  Atomic Property Prediction
From Molecules to Materials: Pre-training Large Generalizable Models for Atomic Property Prediction
Nima Shoghi
Adeesh Kolluru
John R. Kitchin
Zachary W. Ulissi
C. L. Zitnick
Brandon M. Wood
AI4CE
14
30
0
25 Oct 2023
SNIP: Bridging Mathematical Symbolic and Numeric Realms with Unified
  Pre-training
SNIP: Bridging Mathematical Symbolic and Numeric Realms with Unified Pre-training
Kazem Meidani
Parshin Shojaee
Chandan K. Reddy
A. Farimani
13
18
0
03 Oct 2023
GPT-MolBERTa: GPT Molecular Features Language Model for molecular
  property prediction
GPT-MolBERTa: GPT Molecular Features Language Model for molecular property prediction
Suryanarayanan Balaji
Rishikesh Magar
Yayati Jadhav
and Amir Barati Farimani
11
13
0
20 Sep 2023
Materials Informatics Transformer: A Language Model for Interpretable
  Materials Properties Prediction
Materials Informatics Transformer: A Language Model for Interpretable Materials Properties Prediction
Hongshuo Huang
Rishikesh Magar
Chang Xu
A. Farimani
AI4CE
19
4
0
30 Aug 2023
Denoise Pretraining on Nonequilibrium Molecules for Accurate and
  Transferable Neural Potentials
Denoise Pretraining on Nonequilibrium Molecules for Accurate and Transferable Neural Potentials
Yuyang Wang
Chang Xu
Zijie Li
A. Farimani
AAML
AI4CE
6
20
0
03 Mar 2023
TransPolymer: a Transformer-based language model for polymer property
  predictions
TransPolymer: a Transformer-based language model for polymer property predictions
Changwen Xu
Yuyang Wang
A. Farimani
11
83
0
03 Sep 2022
Improving Molecular Contrastive Learning via Faulty Negative Mitigation
  and Decomposed Fragment Contrast
Improving Molecular Contrastive Learning via Faulty Negative Mitigation and Decomposed Fragment Contrast
Yuyang Wang
Rishikesh Magar
Chen Liang
A. Farimani
32
78
0
18 Feb 2022
Mapping the Space of Chemical Reactions Using Attention-Based Neural
  Networks
Mapping the Space of Chemical Reactions Using Attention-Based Neural Networks
P. Schwaller
Daniel Probst
Alain C. Vaucher
Vishnu H. Nair
D. Kreutter
Teodoro Laino
J. Reymond
125
220
0
09 Dec 2020
1