blondegeek / e3nn_tutorialLinks
repository and website for tutorials on 3d Euclidean equivariant neural networks
☆71Updated 4 years ago
Alternatives and similar repositories for e3nn_tutorial
Users that are interested in e3nn_tutorial are comparing it to the libraries listed below
Sorting:
- Codebase for Cormorant Neural Networks☆60Updated 3 years ago
- Learning neural network potentials from experimental data via Differentiable Trajectory Reweighting☆31Updated last year
- GemNet model in TensorFlow, as proposed in "GemNet: Universal Directional Graph Neural Networks for Molecules" (NeurIPS 2021)☆26Updated 2 years ago
- [TMLR 2023] Training and simulating MD with ML force fields☆111Updated 7 months ago
- ☆40Updated 3 years ago
- ☆88Updated 3 years ago
- Reference implementation of "SpookyNet: Learning force fields with electronic degrees of freedom and nonlocal effects"☆76Updated 3 years ago
- G-SchNet - a generative model for 3d molecular structures☆136Updated 2 years ago
- Build neural networks for machine learning force fields with JAX☆121Updated 3 weeks ago
- "Data-Driven Approach to Encoding and Decoding 3-D Crystal Structures", Jordan Hoffmann, Louis Maestrati, Yoshihide Sawada, Jian Tang, Je…☆34Updated 5 years ago
- Reference implementation of "Ewald-based Long-Range Message Passing for Molecular Graphs" (ICML 2023)☆49Updated 2 years ago
- Higher order equivariant graph neural networks for 3D point clouds☆39Updated last year
- This repo contains the datasets used for the paper The Design Space of E(3)-Equivariant Atom-Centered Interatomic Potentials.☆18Updated 2 years ago
- Jax / Haiku implementation of DimeNet++.☆18Updated 3 years ago
- Equivariant machine learning interatomic potentials in JAX.☆73Updated 2 months ago
- [ICLR 2025] GotenNet: Rethinking Efficient 3D Equivariant Graph Neural Networks☆36Updated 3 weeks ago
- Example to fit parameters and run CG simulations using TorchMD and Schnet☆46Updated 3 years ago
- Generate and predict molecular electron densities with Euclidean Neural Networks☆48Updated last year
- Tensorflow implementation of message passing neural networks for molecules and materials☆12Updated 5 years ago
- ☆23Updated last year
- ☆60Updated 3 years ago
- [NeurIPS 2024] Official implementation of the Efficiently Scaled Attention Interatomic Potential☆51Updated 3 months ago
- AMPtorch: Atomistic Machine Learning Package (AMP) - PyTorch☆60Updated last year
- Code for performing adversarial attacks on atomistic systems using NN potentials☆38Updated 2 years ago
- A library for building equivariant neural networks and a zoo of implementations & examples.☆32Updated 2 years ago
- High-performance operations for neural network potentials☆93Updated 3 months ago
- DeepErwin is a python 3.8+ package that implements and optimizes JAX 2.x wave function models for numerical solutions to the multi-electr…☆56Updated 2 months ago
- sGDML - Reference implementation of the Symmetric Gradient Domain Machine Learning model☆152Updated last week
- [TMLR 2024] Generalizing Denoising to Non-Equilibrium Structures Improves Equivariant Force Fields☆37Updated 4 months ago
- ☆12Updated last year