Articleposted 2025-04-25 04:44:28
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Articleposted 2025-04-15 09:31:38
Riemannian Denoising Score Matching for Molecular Structure Optimization with Chemical Accuracy
Woo Youn Kim, Jeheon Woo, Seonghwan Kim, Jun Hyeong Kim
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Resourceposted 2025-01-24 04:57:42
SciToolAgent: A Knowledge Graph-Driven Scientific Agent for Multi-Tool Integration
Huajun Chen, Keyan Ding, Jing Yu, Junjie Huang, Yuchen Yang, Qiang Zhang
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Articleposted 2025-01-22 03:21:08
Proteoform Search from Protein Database with Top-Down Mass Spectra: Algorithms and Evaluation
Lusheng Wang, Kunyi Li, Ming Li, Baozhen Shan, Lei Xin
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Articleposted 2025-01-09 02:13:24
Iterative variational learning of committor-consistent transition pathways using artificial neural networks
Christophe Chipot, Alberto Megías, Sergio Contreras Arredondo, Giuseppe Chen, Chenyu Tang, Benoit Roux
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Articleposted 2025-01-07 08:08:35
SurFF: Universal Model for Surface Exposure and Synthesizability Across Intermetallic Crystals
Xiaonan Wang, Jun Yin, Honghao Chen, Jiangjie Qiu, Wentao Li, Peng He, Jiali Li, and 1 more authors
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Articleposted 2024-12-10 03:11:59
Deep active learning for complex systems
Ye Wei, Bo Peng, Ruiwen Xie, Yangtao Chen, Yu Qin, Peng Wen, Stefan Bauer, and 2 more authors
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Articleposted 2024-12-09 02:39:36
Analog In-Memory Computing Attention Mechanism for Fast and Energy-Efficient Large Language Models
Nathan Leroux, Paul-Philipp Manea, Chirag Sudarshan, Jan Finkbeiner, Sebastian Siegel, John Paul Strachan, Emre Neftci
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Brief Communicationposted 2024-10-17 08:59:28
Quantifying batch effects for individual genes in single-cell data
Shuilin Jin, Yang Zhou, Qiongyu Sheng
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Articleposted 2024-10-01 00:59:32
A computational approach to evaluate how molecular mechanisms impact large-scale brain activity
Alain Destexhe, Maria Sacha, Federico Tesler, Rodrigo Cofre
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