Work

asyncmd: A python library to orchestrate complex molecular dynamics simulation campaigns on high performance computing systems

Year: 2025

Type: software

Abstract: asyncmd is a library to write concurrent code to run and analyze molecular dynamics simulations using pythons async/await syntax. Computationally costly operations can be performed locally or submitted to a queuing system.

Source: Zenodo (CERN European Organization for Nuclear Research)

DOI: 10.5281/zenodo.16321611

Authors: Jung, Hendrik, Hummer, Gerhard

Language: English

Topic: Parallel Computing and Optimization Techniques

Subfield: Hardware and Architecture

Field: Computer Science

Domain: Physical Sciences

Open Access status: green

OpenAlex ID: W6893582266

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