PyTorch AutoNEB implementation to identify minimum energy paths, e.g. in neural network loss landscapes
-
Updated
Sep 14, 2022 - Jupyter Notebook
#
neb
Here are 9 public repositories matching this topic...
A Nagios / Naemon Prometheus exporter
-
Updated
Jul 10, 2017 - Go
Quantum ESPRESSO Calculator for Atomic Simulation Environment (ASE).
-
Updated
Jul 15, 2023 - HTML
NEB/HSEB Class XII computer science project
-
Updated
Nov 27, 2020 - C
Explore Nepali-11: Your top-notch Class 11 Nepali notes for exam success. Perfect for students, educators, and Nepali literature enthusiasts.
-
Updated
Jun 13, 2024
GUI tool to run NEB calculation using ASE and Gaussian16 or XTB binary.
chemistry
tight-binding
gaussian
quantum-chemistry
ase
neb
xtb
atomic-simulation-environment
nudged-elastic-band
-
Updated
Sep 7, 2024 - Python
a simple example to find saddle point by NEB
-
Updated
May 24, 2022 - Python
Improve this page
Add a description, image, and links to the neb topic page so that developers can more easily learn about it.
Add this topic to your repo
To associate your repository with the neb topic, visit your repo's landing page and select "manage topics."