FMOkit is a command-line toolkit written in Python for both preprocessing and postprocessing of Fragment Molecular Orbital(FMO) calculations. Generates GAMESS input files for FMO calculations from the ...

Python''s popularity is surging. In 2025, it achieved a record 26.14% TIOBE index rating, the highest any language has ever ...

Introduction Application of artificial intelligence (AI) tools in the healthcare setting gains importance especially in the domain of disease diagnosis. Numerous studies have tried to explore AI in ...

Unlock the full InfoQ experience by logging in! Stay updated with your favorite authors and topics, engage with content, and download exclusive resources. Vivek Yadav, an engineering manager from ...

As every organization evolves to become a Frontier Firm—human-led, agent-operated—trust is the foundation that powers AI transformation for governments and enterprises worldwide. Where and how data is ...

In forecasting economic time series, statistical models often need to be complemented with a process to impose various constraints in a smooth manner. Systematically imposing constraints and retaining ...

Getting input from users is one of the first skills every Python programmer learns. Whether you’re building a console app, validating numeric data, or collecting values in a GUI, Python’s input() ...

Personally identifiable information has been found in DataComp CommonPool, one of the largest open-source data sets used to train image generation models. Millions of images of passports, credit cards ...

In the race to develop artificial intelligence, tech giants are building data centers that guzzle up water. That has led to problems for people who live nearby. In the race to develop artificial ...