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2210.14188
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MOFormer: Self-Supervised Transformer model for Metal-Organic Framework Property Prediction
25 October 2022
Zhonglin Cao
Rishikesh Magar
Yuyang Wang
A. Farimani
AI4CE
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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
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
M. Petković
José-Manuel Vicent Luna
El\=ıza Beate Dinne
Vlado Menkovski
Sofía Calero
AI4CE
30
0
0
26 Mar 2025
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?
Nawaf Alampara
Santiago Miret
K. Jablonka
35
8
0
25 Jun 2024
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
Anthony Y. Zhou
Cooper Lorsung
AmirPouya Hemmasian
Amir Barati Farimani
AI4CE
23
4
0
12 Jun 2024
AlloyBERT: Alloy Property Prediction with Large Language Models
Akshat Chaudhari
Chakradhar Guntuboina
Hongshuo Huang
A. Farimani
14
4
0
28 Mar 2024
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
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
Jonathan Balasingham
Viktor Zamaraev
V. Kurlin
6
5
0
22 Jan 2024
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
26
17
0
03 Nov 2023
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
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
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
Hongshuo Huang
Rishikesh Magar
Chang Xu
A. Farimani
AI4CE
17
4
0
30 Aug 2023
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
Changwen Xu
Yuyang Wang
A. Farimani
11
83
0
03 Sep 2022
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
P. Schwaller
Daniel Probst
Alain C. Vaucher
Vishnu H. Nair
D. Kreutter
Teodoro Laino
J. Reymond
125
220
0
09 Dec 2020
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