Zobrazeno 1 - 10
of 4 245
pro vyhledávání: '"Ramsundar A"'
Protein language models (PLMs) have shown promise in improving the understanding of protein sequences, contributing to advances in areas such as function prediction and protein engineering. However, training these models from scratch requires signifi
Externí odkaz:
http://arxiv.org/abs/2412.13519
Polymers play a crucial role in the development of engineering materials, with applications ranging from mechanical to biomedical fields. However, the limited polymerization processes constrain the variety of organic building blocks that can be exper
Externí odkaz:
http://arxiv.org/abs/2412.08658
Ordinary Differential Equations (ODEs) are widely used in physics, chemistry, and biology to model dynamic systems, including reaction kinetics, population dynamics, and biological processes. In this work, we integrate GPU-accelerated ODE solvers int
Externí odkaz:
http://arxiv.org/abs/2411.19882
Variant calling is a fundamental task in genomic research, essential for detecting genetic variations such as single nucleotide polymorphisms (SNPs) and insertions or deletions (indels). This paper presents an enhancement to DeepChem, a widely used o
Externí odkaz:
http://arxiv.org/abs/2411.11513
Generative models for molecules have shown considerable promise for use in computational chemistry, but remain difficult to use for non-experts. For this reason, we introduce open-source infrastructure for easily building generative molecular models
Externí odkaz:
http://arxiv.org/abs/2408.06261
Automated cell segmentation is crucial for various biological and medical applications, facilitating tasks like cell counting, morphology analysis, and drug discovery. However, manual segmentation is time-consuming and prone to subjectivity, necessit
Externí odkaz:
http://arxiv.org/abs/2409.08163
In this work, we describe a novel approach to building a neural PDE solver leveraging recent advances in transformer based neural network architectures. Our model can provide solutions for different values of PDE parameters without any need for retra
Externí odkaz:
http://arxiv.org/abs/2407.06209
In vehicular networks (VNets), ensuring both road safety and dependable network connectivity is of utmost importance. Achieving this necessitates the creation of resilient and efficient decision-making policies that prioritize multiple objectives. In
Externí odkaz:
http://arxiv.org/abs/2405.18984
Finding accurate solutions to the electronic Schr\"odinger equation plays an important role in discovering important molecular and material energies and characteristics. Consequently, solving systems with large numbers of electrons has become increas
Externí odkaz:
http://arxiv.org/abs/2401.10287
Autor:
Zhu, Shang, Ramsundar, Bharath, Annevelink, Emil, Lin, Hongyi, Dave, Adarsh, Guan, Pin-Wen, Gering, Kevin, Viswanathan, Venkatasubramanian
Electrolytes play a critical role in designing next-generation battery systems, by allowing efficient ion transfer, preventing charge transfer, and stabilizing electrode-electrolyte interfaces. In this work, we develop a differentiable geometric deep
Externí odkaz:
http://arxiv.org/abs/2310.03047