e3nn / e3nn-tutorial-mrs-fall-2021Links
e3nn tutorial for Materials Research Society Fall Meeting 2021
☆14Updated 4 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
Sorting:
- Code Repository for "Direct prediction of phonon density of states with Euclidean neural network"☆28Updated 3 years ago
- Robust NN MD simulator☆21Updated 2 years ago
- Active learning workflow developed as a part of the upcoming article "Machine Learning Inter-Atomic Potentials Generation Driven by Activ…☆28Updated 4 years ago
- tools for machine learning in condensed matter physics and quantum chemistry☆33Updated 3 years ago
- Deprecated - see `pair_nequip_allegro`☆44Updated 9 months ago
- Input files for Batzner, S., Musaelian, A., Sun, L., Geiger, M., Mailoa, J. P., Kornbluth, M., ... & Kozinsky, B. (2021). E(3)-equivarian…☆15Updated 6 months ago
- ☆22Updated 6 years ago
- Moment Invariants Local Atomic Descriptor☆34Updated last year
- Code repository for "Finding symmetry breaking order parameters with Euclidean Neural Networks"☆16Updated 5 years ago
- Official repository for the paper "Uncertainty-biased molecular dynamics for learning uniformly accurate interatomic potentials".☆21Updated last year
- ☆35Updated 4 months ago
- KIM-based Learning-Integrated Fitting Framework for interatomic potentials.☆40Updated 2 weeks ago
- Implementation of a machine learned density functional☆36Updated last year
- The Wren sits on its Roost in the Aviary.☆61Updated 3 weeks ago
- A framework for using topological data analysis to extract structure/symmetry from scientific systems.☆25Updated 3 years ago
- Learning neural network potentials from experimental data via Differentiable Trajectory Reweighting☆36Updated last year
- Implementing PaiNN in Pytorch Geometric☆14Updated 3 years ago
- This repo contains the datasets used for the paper The Design Space of E(3)-Equivariant Atom-Centered Interatomic Potentials.☆19Updated 3 years ago
- ☆26Updated 3 years ago
- Code for performing adversarial attacks on atomistic systems using NN potentials☆40Updated 3 years ago
- Generative deep learning model for inorganic materials☆19Updated 2 years ago
- A software for automating materials science computations☆33Updated 3 months ago
- MaterialsCoord: infrastructure to benchmark crystal structure coordination algorithms☆20Updated 2 years ago
- ☆21Updated last year
- Sparse Gaussian Process Potentials☆28Updated 4 months ago
- ☆23Updated 2 years ago
- ☆27Updated last year
- Alchemical machine learning interatomic potentials☆32Updated last year
- Public repository for symmetry-adapted Gaussian Process Regression (SA-GPR)☆22Updated 11 months ago
- Computing representations for atomistic machine learning☆75Updated last week