lamm-mit / MateriomicTransformer
Generative Pretrained Autoregressive Transformer Graph Neural Network applied to the Analysis and Discovery of Materials
☆16Updated last year
Alternatives and similar repositories for MateriomicTransformer:
Users that are interested in MateriomicTransformer are comparing it to the libraries listed below
- Source code of MOLLEO☆33Updated 6 months ago
- ☆31Updated 8 months ago
- ☆12Updated last month
- Source code for ICLR 2021 paper: "Molecule Optimization by Explainable Evolution"☆28Updated 3 years ago
- ICML2024: Equivariant Graph Neural Operator for Modeling 3D Dynamics☆51Updated 9 months ago
- ProtMamba: a homology-aware but alignment-free protein state space model☆54Updated 2 months ago
- Lagrangian formulation of Doob's h-transform allowing for efficient rare event sampling☆45Updated last month
- A diffusion model for structure-based drug design with faster inference from learned representations of protein structure.☆27Updated last year
- This Denoising Force Field (DFF) codebase provides a Pytorch framework for the method presented in Two for one: Diffusion models and forc…☆53Updated 7 months ago
- Code for the paper Context-Guided Diffusion for Out-of-Distribution Molecular and Protein Design☆36Updated 6 months ago
- ☆14Updated last year
- ☆12Updated 5 months ago
- [NeurIPS 2024] The implementation for the paper "Geometric Trajectory Diffusion Models".☆21Updated 2 months ago
- The source code of "Equivariant Spatio-Temporal Attentive Graph Networks to Simulate Physical Dynamics"☆22Updated 5 months ago
- Code for the paper https://arxiv.org/abs/2402.04997☆64Updated 11 months ago
- Meta Flow Matching: Integrating Vector Fields on the Wasserstein Manifold☆43Updated 4 months ago
- Joint Sequence-Structure Generation of Nucleic Acid and Protein Complexes with SE(3)-Discrete Diffusion☆54Updated 8 months ago
- RetroBridge: Markov Bridge Model for Retrosynthesis Planning☆28Updated 9 months ago
- Multiresolution Graph Transformers and Wavelet Positional Encoding for Learning Long-Range and Hierarchical Structures☆21Updated last year
- Implementation of Nvidia's NeuralPlexer, for end-to-end differentiable design of functional small-molecules and ligand-binding proteins, …☆50Updated last year
- Implementation of Denoising Diffusion for protein design, but using the new Equiformer (successor to SE3 Transformers) with some addition…☆56Updated 2 years ago
- Benchmark for Biophysical Sequence Optimization Algorithms☆15Updated 2 months ago
- Uncover meaningful structures of latent spaces learned by generative models with flows!☆40Updated 8 months ago
- ☆33Updated 3 years ago
- Mixed continous/categorical flow-matching model for de novo molecule generation.☆86Updated this week
- Graph-Aware Attention for Adaptive Dynamics in Transformers☆22Updated last week
- Code for Paper "Think While You Generate: Discrete Diffusion with Planned Denoising"☆35Updated 2 months ago
- A new retrieval-based framework for controllable molecule generation.☆47Updated last year
- A Modular Architecture for Deep Learning Systems☆38Updated 3 months ago
- Guided Diffusion Model for Molecular Inverse Design☆18Updated last year