ilyes319 / mfnLinks
☆12Updated last year
Alternatives and similar repositories for mfn
Users that are interested in mfn are comparing it to the libraries listed below
Sorting:
- ☆23Updated last year
- [NeurIPS 2024] Official implementation of the Efficiently Scaled Attention Interatomic Potential☆51Updated 3 months ago
- Reference implementation of "Ewald-based Long-Range Message Passing for Molecular Graphs" (ICML 2023)☆49Updated 2 years ago
- Equivariant machine learning interatomic potentials in JAX.☆73Updated 2 months ago
- Higher order equivariant graph neural networks for 3D point clouds☆39Updated last year
- Jax / Haiku implementation of DimeNet++.☆18Updated 3 years ago
- ☆22Updated last month
- [TMLR 2025] Stability-Aware Training of Machine Learning Force Fields with Differentiable Boltzmann Estimators☆14Updated 4 months 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
- [NeurIPS 2024] source code for "A Recipe for Charge Density Prediction"☆35Updated 6 months ago
- Fair and transparent benchmark of machine learning interatomic potentials (MLIPs), beyond basic error metrics https://openreview.net/foru…☆58Updated last week
- Generate and predict molecular electron densities with Euclidean Neural Networks☆48Updated last year
- Higher-order equivariant neural networks for charge density prediction in materials☆59Updated 4 months ago
- MESS: Modern Electronic Structure Simulations☆31Updated 2 months ago
- [ICLR 2025] GotenNet: Rethinking Efficient 3D Equivariant Graph Neural Networks☆36Updated 3 weeks ago
- Learning neural network potentials from experimental data via Differentiable Trajectory Reweighting☆31Updated last year
- SO3krates and Universal Pairwise Force Field for Molecular Simulation☆104Updated last week
- A library for building equivariant neural networks and a zoo of implementations & examples.☆32Updated 2 years ago
- Compute neighbor lists for atomistic systems☆53Updated last week
- Building Blocks for Equivariant Neural Networks in e3nn and PyTorch 2.0☆14Updated last month
- An implementation of SchNet in JAX and JAX-MD.☆17Updated 3 years ago
- Alchemical machine learning interatomic potentials☆29Updated 7 months ago
- Build neural networks for machine learning force fields with JAX☆121Updated 3 weeks ago
- ⚛ download and manipulate atomistic datasets☆44Updated 6 months ago
- ☆18Updated 2 years ago
- Training Neural Network potentials through customizable routines in JAX.☆35Updated last week
- [TMLR 2024] Generalizing Denoising to Non-Equilibrium Structures Improves Equivariant Force Fields☆37Updated 4 months ago
- Force-field-enhanced Neural Networks optimized library☆57Updated last week
- OpenEquivariance: a fast, open-source GPU JIT kernel generator for the Clebsch-Gordon Tensor Product.☆71Updated this week
- [ICLR 2025] Official Implementation of "Towards Fast, Specialized Machine Learning Force Fields: Distilling Foundation Models via Energy …☆15Updated 2 months ago