atomicarchitects / symphonyLinks
[ICLR'24] Symphony: Symmetry-Equivariant Point-Centered Spherical Harmonics for Molecule Generation
☆28Updated 10 months ago
Alternatives and similar repositories for symphony
Users that are interested in symphony are comparing it to the libraries listed below
Sorting:
- Equivariant machine learning interatomic potentials in JAX.☆81Updated this week
- Reference implementation of "Ewald-based Long-Range Message Passing for Molecular Graphs" (ICML 2023)☆51Updated 2 years ago
- [ICML 2025] Repurposing pre-trained score-based generative models for transition path sampling by minimizing the Onsager-Machlup (OM) act…☆24Updated last month
- Higher order equivariant graph neural networks for 3D point clouds☆46Updated 2 years ago
- Implementation of the Euclidean fast attention (EFA) algorithm☆57Updated 3 months ago
- [NeurIPS 2024] source code for "A Recipe for Charge Density Prediction"☆38Updated last year
- [TMLR 2024 J2C Certification] Generalizing Denoising to Non-Equilibrium Structures Improves Equivariant Force Fields☆39Updated 10 months ago
- A library for building equivariant neural networks and a zoo of implementations & examples.☆31Updated 3 years ago
- Force-field-enhanced Neural Networks optimized library☆77Updated 2 weeks ago
- [NeurIPS 2024] Official implementation of the Efficiently Scaled Attention Interatomic Potential☆57Updated 3 months ago
- ☆22Updated 7 months ago
- ☆23Updated 2 years ago
- ☆25Updated 5 months ago
- Example to fit parameters and run CG simulations using TorchMD and Schnet☆47Updated 3 years ago
- Repository of Quantum Datasets Publicly Available☆54Updated 6 months ago
- Geometric super-resolution for molecular geometries☆42Updated 3 years ago
- Code for “From Molecules to Materials Pre-training Large Generalizable Models for Atomic Property Prediction”.☆61Updated last year
- [TMLR 2023] Training and simulating MD with ML force fields☆115Updated last year
- A light-weight PyTorch extension for equivariant deep learning☆18Updated 10 months ago
- Zero Shot Molecular Generation via Similarity Kernels☆28Updated 4 months ago
- Run OpenMM with forces provided by any Python program☆37Updated last year
- Timewarp is a research project using deep learning to accelerate molecular dynamics simulation.☆58Updated last year
- A Newtonian message passing network for deep learning of interatomic potentials and forces☆45Updated 6 months ago
- Building Blocks for Equivariant Neural Networks in e3nn and PyTorch 2.0☆17Updated last month
- Text-based modeling of materials.☆34Updated last year
- Code for performing adversarial attacks on atomistic systems using NN potentials☆40Updated 3 years ago
- [NeurIPS'25 AI4Mat] Nequix: Training a foundation model for materials on a budget.☆54Updated 3 weeks ago
- Implementation of Differentiable Molecular Simulations with torchMD.☆15Updated 2 years ago
- Robust NN MD simulator☆21Updated 2 years ago
- Flow matching for accelerated simulation of atomic transport☆53Updated 2 months ago