Cover Image

Open Molecular Crystals 2025 (OMC25) Dataset and Models

Fuente: arXiv

Saved in:

Bibliographic Details
Main Authors:	Gharakhanyan, Vahe, Barroso-Luque, Luis, Yang, Yi, Shuaibi, Muhammed, Michel, Kyle, Levine, Daniel S., Dzamba, Misko, Fu, Xiang, Gao, Meng, Liu, Xingyu, Ni, Haoran, Noori, Keian, Wood, Brandon M., Uyttendaele, Matt, Boromand, Arman, Zitnick, C. Lawrence, Marom, Noa, Ulissi, Zachary W., Sriram, Anuroop
Format:	Preprint
Published:	2025
Subjects:	Chemical Physics
Online Access:	Acceder al recurso
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

FastCSP: Accelerated Molecular Crystal Structure Prediction with Universal Model for Atoms
by: Gharakhanyan, Vahe, et al.
Published: (2025)

Open Materials 2024 (OMat24) Inorganic Materials Dataset and Models
by: Barroso-Luque, Luis, et al.
Published: (2024)

UMA: A Family of Universal Models for Atoms
by: Wood, Brandon M., et al.
Published: (2025)

Genetic Algorithm-Accelerated Computational Discovery of Liquid Crystal Polymers with Enhanced Optical Properties
by: Zhou, Jianing, et al.
Published: (2025)

Learning Smooth and Expressive Interatomic Potentials for Physical Property Prediction
by: Fu, Xiang, et al.
Published: (2025)

All-atom Diffusion Transformers: Unified generative modelling of molecules and materials
by: Joshi, Chaitanya K., et al.
Published: (2025)

CatTSunami: Accelerating Transition State Energy Calculations with Pre-trained Graph Neural Networks
by: Wander, Brook, et al.
Published: (2024)

Fine-Tuned Language Models Generate Stable Inorganic Materials as Text
by: Gruver, Nate, et al.
Published: (2024)

The Open Molecules 2025 (OMol25) Dataset, Evaluations, and Models
by: Levine, Daniel S., et al.
Published: (2025)

The Open Catalyst 2025 (OC25) Dataset and Models for Solid-Liquid Interfaces
by: Sahoo, Sushree Jagriti, et al.
Published: (2025)

FlowLLM: Flow Matching for Material Generation with Large Language Models as Base Distributions
by: Sriram, Anuroop, et al.
Published: (2024)

FlowMM: Generating Materials with Riemannian Flow Matching
by: Miller, Benjamin Kurt, et al.
Published: (2024)

From Molecules to Materials: Pre-training Large Generalizable Models for Atomic Property Prediction
by: Shoghi, Nima, et al.
Published: (2023)

On activation in solid ionic electrolytes
by: Noori, Keian, et al.
Published: (2024)

Open Catalyst Experiments 2024 (OCx24): Bridging Experiments and Computational Models
by: Abed, Jehad, et al.
Published: (2024)

A recipe for scalable attention-based MLIPs: unlocking long-range accuracy with all-to-all node attention
by: Qu, Eric, et al.
Published: (2026)

Improved Uncertainty Estimation of Graph Neural Network Potentials Using Engineered Latent Space Distances
by: Musielewicz, Joseph, et al.
Published: (2024)

The Open Polymers 2026 (OPoly26) Dataset and Evaluations
by: Levine, Daniel S., et al.
Published: (2025)

Distribution Learning for Molecular Regression
by: Shoghi, Nima, et al.
Published: (2024)

Generalizing Denoising to Non-Equilibrium Structures Improves Equivariant Force Fields
by: Liao, Yi-Lun, et al.
Published: (2024)

Structure Prediction of Ionic Epitaxial Interfaces with Ogre Demonstrated for Colloidal Heterostructures of Lead Halide Perovskites
by: Toso, Stefano, et al.
Published: (2025)

The Open DAC 2025 Dataset for Sorbent Discovery in Direct Air Capture
by: Sriram, Anuroop, et al.
Published: (2025)

Adjoint Sampling: Highly Scalable Diffusion Samplers via Adjoint Matching
by: Havens, Aaron, et al.
Published: (2025)

Transcrystallinity in Thermoplastic Matrix Composites: Crystal Structure - Mechanical Property Relationships
by: J. R. Wood, et al.
Published: (1995)

UtilityMax Prompting: A Formal Framework for Multi-Objective Large Language Model Tasks
by: Marom, Ofir
Published: (2026)

The New Science of Composite Materials
by: Gad Marom
Published: (2025)

A General Retrieval-Augmented Generation Framework for Multimodal Case-Based Reasoning Applications
by: Marom, Ofir
Published: (2025)

A Niche of Independent Reading: Managing a Library of English Readers.
by: Marom, Anat
Published: (1996)

Banal Radicalism: Free Spaces and the Routinization of Radical Practices in Far‐Right Movements
by: Oded Marom
Published: (2025)

Editorial Commentary: Beyond the Numbers: Why Return to Sport After Hip Arthroscopy Is Not Always What It Seems
by: Niv Marom
Published: (2025)

Theoretical Design of a Shallow Donor in Diamond by Lithium-Nitrogen Codoping
by: Moussa, Jonathan E., et al.
Published: (2012)

Entropy Adjusted Graphical Lasso for Sparse Precision Matrix Estimation
by: Avagyan, Vahe
Published: (2025)

Discovering Melting Temperature Prediction Models of Inorganic Solids by Combining Supervised and Unsupervised Learning
by: Gharakhanyan, Vahe, et al.
Published: (2024)

Predicting ionic conductivity in solids from the machine-learned potential energy landscape
by: Maevskiy, Artem, et al.
Published: (2024)

RELAÇÃO ENTRE MOTIVAÇÃO DOS ALUNOS E PRÁTICAS PEDAGÓGICAS EMPREENDIDAS NA FEA-USP
by: Bianca Misko Braz do Carmo
Published: (2016)

Vishap stelae as cult dedicated prehistoric monuments of Armenian Highlands: data analysis and interpretation
by: Gurzadyan, Vahe, et al.
Published: (2025)

Empirical PAC-Bayes Bounds for Markov Chains
by: Karagulyan, Vahe, et al.
Published: (2025)

Cosmological Evolution of Fast Radio Bursts and The Star Formation Rate
by: Champati, Sujay, et al.
Published: (2025)

Scale-by-scale kinetic energy budgets in multiphase turbulence
by: Thiesset, Fabien, et al.
Published: (2025)

Conversions between kinetic and surface energy in periodically forced multiphase turbulence
by: Thiesset, Fabien, et al.
Published: (2026)