The ORCA Python Interface (OPI) is a Python library to create input and parse output of ORCA. It is designed as an open source community effort to make ORCA calculations as accessible as possible and ...

Last year, Tamara Eshleman donated a $300 espresso machine to a raffle fundraiser for Adamstown Public Library. Sure, it was a good cause, but part of that cause included her own job. Like most ...

Abstract: Graph Neural Networks (GNNs) are able to discriminate and retain information about the intrinsic properties of nodes, their position in the graph structure, and their relationships to other ...

Lovely! These tags are kept updated automatically when new minor or patch version are released. The python script in src/docker_python_nodejs handling this is run twice a day on GitHub actions. Image ...

A dozen critical security vulnerabilities have been disclosed in the vm2 Node.js library that could be exploited by bad actors to break out of the sandbox and execute arbitrary code on susceptible ...

Abstract: Over the past two decades, tools from network science have been leveraged to characterize the organization of both structural and functional brain networks. One such tool is hub node ...