e3nn / e3nn-tutorial-mrs-fall-2021
e3nn tutorial for Materials Research Society Fall Meeting 2021
☆13Updated 3 years ago
Alternatives and similar repositories for e3nn-tutorial-mrs-fall-2021:
Users that are interested in e3nn-tutorial-mrs-fall-2021 are comparing it to the libraries listed below
- Active learning workflow developed as a part of the upcoming article "Machine Learning Inter-Atomic Potentials Generation Driven by Activ…☆27Updated 3 years ago
- ☆20Updated 11 months ago
- Input files for Batzner, S., Musaelian, A., Sun, L., Geiger, M., Mailoa, J. P., Kornbluth, M., ... & Kozinsky, B. (2021). E(3)-equivarian…☆12Updated 2 years ago
- This repo contains the datasets used for the paper The Design Space of E(3)-Equivariant Atom-Centered Interatomic Potentials.☆18Updated 2 years ago
- tools for machine learning in condensed matter physics and quantum chemistry☆34Updated 2 years ago
- Implementing PaiNN in Pytorch Geometric☆13Updated 3 years ago
- ☆22Updated last year
- ☆22Updated 4 months ago
- Code Repository for "Direct prediction of phonon density of states with Euclidean neural network"☆27Updated 2 years ago
- ☆39Updated this week
- ☆11Updated 3 months ago
- A cookbook with recipes for atomic-scale modeling of materials and molecules☆18Updated this week
- A Newtonian message passing network for deep learning of interatomic potentials and forces☆40Updated 3 weeks ago
- Sparse Gaussian Process Potentials☆27Updated last week
- ☆21Updated 5 years ago
- Jax / Haiku implementation of DimeNet++.☆18Updated 2 years ago
- Symmetry-Adapted Learning of Three-dimensional Electron Densities (and their electrostatic response)☆31Updated this week
- Mr. Network is a python reaction-network for molecular systems