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 ...

Abstract: As part of the ongoing effort to improve neural network implementations on the LexisNexis High-Performance Computing Cluster (HPCC) Systems Platform, a new adaptation designed specifically ...

A robust Python script that converts Excel (.xlsx, .xls) and CSV files to T-SQL INSERT statements, ready for execution in SQL Server or Azure SQL Database.

Teenagers as young as 14 and 15 were among those who died in the New Year's Eve bar fire that killed 40 people in Switzerland, police said on Sunday (January 4), as many still wait to hear from their ...

The Kardashians Season 7 closed on Christmas Day with an episode that placed Kim Kardashian at the center of two intersecting professional reckonings: the failure of the California bar exam and the ...

Abstract: Over the last few years, a steady increase has been recorded in waste delivery to recycling facilities. Paper plants face the challenge of separating recyclable paper products from waste ...