GLAD-RUC / ESTAGLinks
The source code of "Equivariant Spatio-Temporal Attentive Graph Networks to Simulate Physical Dynamics"
☆25Updated last year
Alternatives and similar repositories for ESTAG
Users that are interested in ESTAG are comparing it to the libraries listed below
Sorting:
- Evolutionary Algorithm with Diffusion Models for Protein Design☆28Updated 8 months ago
 - [ICLR 2024] MARCEL: Machine Learning over Molecular Conformer Ensembles☆43Updated 2 years ago
 - ☆16Updated last month
 - ☆12Updated last year
 - Official implementation for the paper "EBMDOCK: NEURAL PROBABILISTIC PROTEIN-PROTEIN DOCKING VIA A DIFFERENTIABLE ENERGY-BASED MODEL" (IC…☆13Updated last year
 - A Group Symmetric Stochastic Differential Equation Model for Molecule Multi-modal Pretraining, ICML'23☆33Updated last year
 - Source code of MOLLEO☆50Updated 3 months ago
 - NeurIPS 2023 Spotlight paper: Full atom protein pocket design via iterative refinement☆47Updated 2 years ago
 - Code for paper: "Removing Biases from Molecular Representations via Information Maximization"☆20Updated last year
 - Code for AAAI24 paper Text-Guided Molecule Generation with Diffusion Language Model☆29Updated 4 months ago
 - Code for Pre-training Protein Encoder via Siamese Sequence-Structure Diffusion Trajectory Prediction (https://arxiv.org/abs/2301.12068)☆42Updated 2 years ago
 - ☆12Updated 11 months ago
 - ☆10Updated 2 years ago
 - Multimodal Pretraining for Unsupervised Protein Representation Learning☆22Updated last year
 - ☆56Updated last year
 - Official implementation for Learning Invariant Molecular Representation in Latent Discrete Space (NeurIPS 2023)☆21Updated 2 years ago
 - ☆48Updated 3 months ago
 - [ICML 2024] Interaction-based Retrieval-augmented Diffusion Models for Protein-specific 3D Molecule Generation☆32Updated last year
 - [NeurIPS 24] Can LLMs Solve Molecule Puzzles? A Multimodal Benchmark for Molecular Structure Elucidation☆15Updated 7 months ago
 - [ICML2025] The official implementation of "WGFormer: An SE(3)-Transformer Driven by Wasserstein Gradient Flows for Molecular Ground-State…☆30Updated 4 months ago
 - GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1…☆47Updated 2 years ago
 - ☆12Updated last year
 - ☆27Updated 2 years ago
 - Code for the paper Context-Guided Diffusion for Out-of-Distribution Molecular and Protein Design☆39Updated last year
 - Code for our Nature Scientific Reports paper "A universal framework for accurate and efficient geometric deep learning of molecular syste…☆72Updated last year
 - Molecular Hypergraph Neural Network☆39Updated 3 months ago
 - Source code of "Improving Equivariant Graph Neural Networks on Large Geometric Graphs via Virtual Nodes Learning"☆28Updated 4 months ago
 - ☆96Updated 4 months ago
 - [NeurIPS 2024] The implementation for the paper "Geometric Trajectory Diffusion Models".☆31Updated 3 months ago
 - [ICLR 2024] ProFSA: Self-supervised Pocket Pretraining via Protein Fragment-Surroundings Alignment☆14Updated last year