conformers
Here are 7 public repositories matching this topic...
Language:All
Data and scripts for comprehensive benchmark of conformer relative energies
- Updated
Jul 9, 2020 - HTML
Implemintetion of linear attention conformer - LAC
- Updated
Dec 8, 2021 - Jupyter Notebook
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
- Updated
Oct 25, 2021 - VBA
Experiment on Speaker-Independent Spoken Digit Recognition using NNs and statistical methods
- Updated
May 2, 2023 - Python
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.
- Updated
Nov 21, 2024 - Python
Bayesian Optimization Algorithm for Molecular Conformers
- Updated
Oct 30, 2019 - Jupyter Notebook
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
- Updated
May 25, 2024 - Python
Improve this page
Add a description, image, and links to theconformers topic page so that developers can more easily learn about it.
Add this topic to your repo
To associate your repository with theconformers topic, visit your repo's landing page and select "manage topics."