divelab / AIRSLinks
Artificial Intelligence Research for Science (AIRS)
☆683Updated 3 weeks ago
Alternatives and similar repositories for AIRS
Users that are interested in AIRS are comparing it to the libraries listed below
Sorting:
- Training neural network potentials☆428Updated last week
- ☆493Updated 3 years ago
- [ICLR 2024] EquiformerV2: Improved Equivariant Transformer for Scaling to Higher-Degree Representations☆285Updated 6 months ago
- An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]☆319Updated last year
- Official Repository for the Uni-Mol Series Methods☆934Updated 3 months ago
- Awesome papers related to generative molecular modeling and design.☆332Updated last month
- List the AI for Science papers accepted by top conferences☆126Updated last month
- Implementation of GeoDiff: a Geometric Diffusion Model for Molecular Conformation Generation (ICLR 2022).☆381Updated 2 years ago
- ☆527Updated 3 years ago
- NequIP is a code for building E(3)-equivariant interatomic potentials☆770Updated last week
- Implementation of E(n)-Equivariant Graph Neural Networks, in Pytorch☆488Updated 8 months ago
- [ICLR 2023 Spotlight] Equiformer: Equivariant Graph Attention Transformer for 3D Atomistic Graphs☆248Updated 6 months ago
- DimeNet and DimeNet++ models, as proposed in "Directional Message Passing for Molecular Graphs" (ICLR 2020) and "Fast and Uncertainty-Awa…☆333Updated last year
- End-To-End Molecular Dynamics (MD) Engine using PyTorch☆656Updated 7 months ago
- ☆131Updated 2 months ago
- Geometric GNN Dojo provides unified implementations and experiments to explore the design space of Geometric Graph Neural Networks (ICML …☆505Updated last year
- 🏆 A ranked list of awesome atomistic machine learning projects ⚛️🧬💎.☆535Updated this week
- ☆266Updated 7 months ago
- Allegro is an open-source code for building highly scalable and accurate equivariant deep learning interatomic potentials☆425Updated 3 weeks ago
- AI for Science☆97Updated last year
- [ICLR 2023] One Transformer Can Understand Both 2D & 3D Molecular Data (official implementation)☆214Updated 2 years ago
- Neural Network Force Field based on PyTorch☆279Updated last week
- Graph deep learning library for materials☆407Updated this week
- GemNet model in PyTorch, as proposed in "GemNet: Universal Directional Graph Neural Networks for Molecules" (NeurIPS 2021)☆210Updated 2 years ago
- GEOM: Energy-annotated molecular conformations☆230Updated 3 years ago
- Multi-modal Molecule Structure-text Model for Text-based Editing and Retrieval, Nat Mach Intell 2023 (https://www.nature.com/articles/s42…☆237Updated 2 months ago
- List of Molecular and Material design using Generative AI and Deep Learning☆852Updated this week
- AI-powered ab initio biomolecular dynamics simulation☆538Updated 6 months ago
- Official implementation of All Atom Diffusion Transformers (ICML 2025)☆250Updated 3 months ago
- A modular framework for neural networks with Euclidean symmetry☆1,143Updated last week