atomicarchitects / equiformer_v2
[ICLR 2024] EquiformerV2: Improved Equivariant Transformer for Scaling to Higher-Degree Representations
☆266Updated 3 months ago
Alternatives and similar repositories for equiformer_v2
Users that are interested in equiformer_v2 are comparing it to the libraries listed below
Sorting:
- [ICLR 2023 Spotlight] Equiformer: Equivariant Graph Attention Transformer for 3D Atomistic Graphs☆234Updated 3 months ago
- Neural Network Force Field based on PyTorch☆271Updated 2 weeks ago
- Training neural network potentials☆402Updated last week
- GemNet model in PyTorch, as proposed in "GemNet: Universal Directional Graph Neural Networks for Molecules" (NeurIPS 2021)☆200Updated 2 years ago
- Implementation of Torsional Diffusion for Molecular Conformer Generation (NeurIPS 2022)☆261Updated last year
- Code for “FlowMM Generating Materials with Riemannian Flow Matching” and "FlowLLM: Flow Matching for Material Generation with Large Langu…☆126Updated 6 months ago
- Official implementation of All Atom Diffusion Transformers (ICML 2025)☆191Updated this week
- Code for “From Molecules to Materials Pre-training Large Generalizable Models for Atomic Property Prediction”.☆56Updated 6 months ago
- [ICLR 2024 Spotlight] Official Implementation of "Enabling Efficient Equivariant Operations in the Fourier Basis via Gaunt Tensor Product…☆61Updated 6 months ago
- Implementation of GeoDiff: a Geometric Diffusion Model for Molecular Conformation Generation (ICLR 2022).☆358Updated 2 years ago
- GEOM: Energy-annotated molecular conformations☆222Updated 3 years ago
- ☆56Updated 5 months ago
- List of Geometric GNNs for 3D atomic systems☆105Updated last year
- cuEquivariance is a math library that is a collective of low-level primitives and tensor ops to accelerate widely-used models, like DiffD…☆214Updated this week
- DiffLinker: Equivariant 3D-Conditional Diffusion Model for Molecular Linker Design☆333Updated last year
- Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023☆118Updated 11 months ago
- E(3) Steerable Graph Neural Network☆118Updated 2 years ago
- DimeNet and DimeNet++ models, as proposed in "Directional Message Passing for Molecular Graphs" (ICLR 2020) and "Fast and Uncertainty-Awa…☆321Updated last year
- Torch-native, batchable, atomistic simulation.☆220Updated this week
- ☆497Updated 2 years ago
- [NeurIPS 2023] The implementation for the paper "Crystal Structure Prediction by Joint Equivariant Diffusion"☆115Updated last month
- [TMLR 2023] Training and simulating MD with ML force fields☆112Updated 6 months ago
- Official code for Periodic Graph Transformers for Crystal Material Property Prediction (NeurIPS 2022)☆95Updated last year
- Implementation of the Equiformer, SE3/E3 equivariant attention network that reaches new SOTA, and adopted for use by EquiFold for protein…☆270Updated 5 months ago
- Geometric Latent Diffusion Models for 3D Molecule Generation☆249Updated last year
- Build neural networks for machine learning force fields with JAX☆117Updated last week
- Workflow for creating and analyzing the Open Catalyst Dataset☆107Updated 3 months ago
- An object-aware diffusion model for generating chemical reactions☆125Updated 11 months ago
- OpenMM plugin to define forces with neural networks☆194Updated 2 months ago
- An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]☆294Updated 9 months ago