Data and scripts for comprehensive benchmark of conformer relative energies

Implemintetion of linear attention conformer - LAC

An Excel UDF (User defined function) for calculating the Boltzmann population of several energy levels at a given temperature. Supports energies in Hartrees, kJ/mol, kcal/mol, eV

Experiment on Speaker-Independent Spoken Digit Recognition using NNs and statistical methods

Bayesian Optimization Algorithm for Molecular Conformers

new method for discovering vulnerabilities that employs a variety of methodologies. This method combines self-attention with convolutional networks to record both local, position-specific features and global, content-driven interactions

QueueTY (pronounced Cutie, short for Queue, Thank You) is a program that enables users to automate computational calculations of molecules using Vconf, turbomole and COSMOtherm.