blondegeek / e3nn_tutorialLinks
repository and website for tutorials on 3d Euclidean equivariant neural networks
☆72Updated 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:
- [TMLR 2023] Training and simulating MD with ML force fields☆111Updated 8 months ago
- Codebase for Cormorant Neural Networks☆60Updated 3 years ago
- Build neural networks for machine learning force fields with JAX☆121Updated last month
- G-SchNet - a generative model for 3d molecular structures☆138Updated 2 years ago
- ☆89Updated 3 years ago
- sGDML - Reference implementation of the Symmetric Gradient Domain Machine Learning model☆153Updated last month
- Reference implementation of "Ewald-based Long-Range Message Passing for Molecular Graphs" (ICML 2023)☆50Updated 2 years ago
- Reference implementation of "SpookyNet: Learning force fields with electronic degrees of freedom and nonlocal effects"☆77Updated 3 years ago
- High-performance operations for neural network potentials☆93Updated 4 months ago
- Pytorch differentiable molecular dynamics☆176Updated 2 years ago
- ☆40Updated 3 years ago
- Workflow for creating and analyzing the Open Catalyst Dataset☆109Updated 5 months ago
- [NeurIPS 2024] Official implementation of the Efficiently Scaled Attention Interatomic Potential☆51Updated 4 months ago
- A library for building equivariant neural networks and a zoo of implementations & examples.☆32Updated 2 years ago
- Jax / Haiku implementation of DimeNet++.☆18Updated 3 years ago
- Learning neural network potentials from experimental data via Differentiable Trajectory Reweighting☆31Updated last year
- Equivariant machine learning interatomic potentials in JAX.☆73Updated 2 months 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
- E3x is a JAX library for constructing efficient E(3)-equivariant deep learning architectures built on top of Flax.☆108Updated 3 months ago
- ☆23Updated last year
- Neural Network Force Field based on PyTorch☆276Updated last month
- Higher order equivariant graph neural networks for 3D point clouds☆40Updated 2 years ago
- Boltzmann Generators and Normalizing Flows in PyTorch☆169Updated last year
- Example to fit parameters and run CG simulations using TorchMD and Schnet☆46Updated 3 years ago
- Repository of Quantum Datasets Publicly Available☆49Updated 3 weeks ago
- GemNet model in TensorFlow, as proposed in "GemNet: Universal Directional Graph Neural Networks for Molecules" (NeurIPS 2021)☆26Updated 2 years ago
- SO3krates and Universal Pairwise Force Field for Molecular Simulation☆105Updated last week
- Code for performing adversarial attacks on atomistic systems using NN potentials☆39Updated 2 years ago
- Force-field-enhanced Neural Networks optimized library☆57Updated last week
- AMPtorch: Atomistic Machine Learning Package (AMP) - PyTorch☆60Updated 2 years ago