sibasmarak / SymmCDLinks
☆24Updated 2 months ago
Alternatives and similar repositories for SymmCD
Users that are interested in SymmCD are comparing it to the libraries listed below
Sorting:
- [TMLR 2024 J2C Certification] Generalizing Denoising to Non-Equilibrium Structures Improves Equivariant Force Fields☆39Updated 11 months ago
- Reference implementation of "Ewald-based Long-Range Message Passing for Molecular Graphs" (ICML 2023)☆51Updated 2 years ago
- Code for “From Molecules to Materials Pre-training Large Generalizable Models for Atomic Property Prediction”.☆61Updated last year
- [NeurIPS 2024] Official implementation of the Efficiently Scaled Attention Interatomic Potential☆57Updated 3 months ago
- [TMLR 2023] Training and simulating MD with ML force fields☆115Updated last year
- [NeurIPS 2024] source code for "A Recipe for Charge Density Prediction"☆39Updated last year
- Text-based modeling of materials.☆34Updated last year
- [ICLR'24] Symphony: Symmetry-Equivariant Point-Centered Spherical Harmonics for Molecule Generation☆28Updated 10 months ago
- Implementation of the Euclidean fast attention (EFA) algorithm☆58Updated 2 weeks ago
- [npj Comp. Mat.] Higher-order equivariant neural networks for charge density prediction in materials☆70Updated 11 months ago
- [ICLR 2025] GotenNet: Rethinking Efficient 3D Equivariant Graph Neural Networks☆60Updated 3 months ago
- Equivariant machine learning interatomic potentials in JAX.☆83Updated this week
- ☆34Updated 11 months ago
- Official code for Periodic Graph Transformers for Crystal Material Property Prediction (NeurIPS 2022)☆109Updated 2 years ago
- This repository contains a collection of resources and papers on GNN Models on Crystal Solid State Materials☆111Updated 2 months ago
- Reference implementation of "SpookyNet: Learning force fields with electronic degrees of freedom and nonlocal effects"☆82Updated 3 years ago
- [ICLR 2024 Spotlight] Official Implementation of "Enabling Efficient Equivariant Operations in the Fourier Basis via Gaunt Tensor Product…☆68Updated last year
- Build neural networks for machine learning force fields with JAX☆130Updated 7 months ago
- ☆48Updated last year
- Large language models to generate stable crystals.☆117Updated last year
- [ICML'24] Adsorbate Placement via Conditional Denoising Diffusion☆23Updated last year
- ☆60Updated last year
- [NeurIPS'25 AI4Mat] Nequix: Training a foundation model for materials on a budget and [arXiv'26] Phonon fine-tuning (PFT)☆60Updated last week
- Official implementation of the NeurIPS 23 spotlight paper of ♾️InfGCN♾️.☆16Updated 2 years ago
- Higher order equivariant graph neural networks for 3D point clouds☆46Updated 2 years ago
- Flow matching for accelerated simulation of atomic transport☆55Updated 3 months ago
- ☆11Updated last year
- A text-guided diffusion model for crystal structure generation☆74Updated 7 months ago
- [ICLR 2024] The implementation for the paper "Space Group Constrained Crystal Generation"☆60Updated 2 months ago
- React-OT is a generative transition state search model developed by DeepPrinciple, which uses Optimal Transport (OT) methods to generate …☆38Updated 4 months ago