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Automating MD simulations for Proteins using Large language Models: NAMD-Agent
Achuth Chandrasekhar, Amir Barati Farimani
https://arxiv.org/abs/2507.07887 …

Automating MD simulations for Proteins using Large language Models: NAMD-Agent
Molecular dynamics simulations are an essential tool in understanding protein structure, dynamics, and function at the atomic level. However, preparing high quality input files for MD simulations can be a time consuming and error prone process. In this work, we introduce an automated pipeline that leverages Large Language Models (LLMs), specifically Gemini 2.0 Flash, in conjunction with python scripting and Selenium based web automation to streamline the generation of MD input files. The pipeli…

When Blockchain Meets Crawlers: Real-time Market Analytics in Solana NFT Markets
Chengxin Shen, Zhongwen Li, Xiaoqi Li, Zongwei Li
https://arxiv.org/abs/2506.02892

When Blockchain Meets Crawlers: Real-time Market Analytics in Solana NFT Markets
In this paper, we design and implement a web crawler system based on the Solana blockchain for the automated collection and analysis of market data for popular non-fungible tokens (NFTs) on the chain. Firstly, the basic information and transaction data of popular NFTs on the Solana chain are collected using the Selenium tool. Secondly, the transaction records of the Magic Eden trading market are thoroughly analyzed by combining them with the Scrapy framework to examine the price fluctuations an…

Revisiting the electron affinity of selenium
Rui Zhang, Wenru Jie, Jiayi Chen, Qihan Liu, Chuangang Ning
https://arxiv.org/abs/2506.10300 https://