An important aspect in software engineering is the ability to distinguish between premature, unnecessary, and necessary ...
Dive deep into Nesterov Accelerated Gradient (NAG) and learn how to implement it from scratch in Python. Perfect for ...
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 ...