amorehead / awesome-equivariant-network
Paper list for equivariant neural network
☆10Updated 2 years ago
Related projects: ⓘ
- Research repository for the proposed equivariant graph attention network that operates on large biomolecules proposed by Le et al. (2022)☆17Updated last year
- Intrinsic-Extrinsic Convolution and Pooling for Learning on 3D Protein Structures☆49Updated 2 years ago
- Work on designing a graph co-attention algorithm.☆18Updated last year
- Implementation of Geometric Vector Perceptron, a simple circuit for 3d rotation equivariance for learning over large biomolecules, in Pyt…☆72Updated 3 years ago
- [ICLR 2023] "HotProtein: A Novel Framework for Protein Thermostability Prediction and Editing" by Tianlong Chen*, Chengyue Gong*, Daniel …☆27Updated last year
- ☆50Updated 3 years ago
- The official implementation of Energy-Inspired Molecular Conformation Optimization (ICLR 2022)☆37Updated last year
- Bayesian MPNNs for Molecular Property Prediction☆27Updated 3 years ago
- Code for Fold2Seq paper from ICML 2021☆49Updated 2 years ago
- Drug Discovery under Covariate Shift with Domain-Informed Prior Distributions over Functions☆23Updated last year
- GeneDisco is a benchmark suite for evaluating active learning algorithms for experimental design in drug discovery.☆36Updated last year
- Source code for ICLR 2021 paper: "Molecule Optimization by Explainable Evolution"☆28Updated 3 years ago
- Lbster: Language models for Biological Sequence Transformation and Evolutionary Representation☆26Updated 3 months ago
- Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)☆22Updated 3 years ago
- An End-to-End Framework for Molecular Conformation Generation via Bilevel Programming (ICML'21)☆51Updated 3 years ago
- Database of Interacting Protein Structures (DIPS)☆91Updated 7 months ago
- Official repository for discrete Walk-Jump Sampling (dWJS)☆44Updated 3 months ago
- A geometric deep learning pipeline for predicting protein interface contacts. (ICLR 2022)☆63Updated 2 years ago
- The Enhanced Database of Interacting Protein Structures for Interface Prediction☆44Updated last year
- Shows some of the ways molecule generation and optimization can go wrong☆14Updated last year
- Implementation of GEFA: Early Fusion Approach in Drug-Target Affinity Prediction☆20Updated 3 years ago
- ☆23Updated 4 months ago
- N-Gram Graph: Simple Unsupervised Representation for Graphs, NeurIPS'19 (https://arxiv.org/abs/1806.09206)☆38Updated 3 years ago
- Code for "Biological Sequence Design with GFlowNets", 2022☆70Updated last year
- coming soon☆28Updated last year
- Energy-based Graph Convolutional Networks for Scoring Protein Docking Models☆11Updated 3 years ago
- Joint Sequence-Structure Generation of Nucleic Acid and Protein Complexes with SE(3)-Discrete Diffusion☆52Updated 4 months ago
- (differentiable) gradient-based optimization on a chemical graph for de novo molecule design/optimization (ICLR 2022)☆26Updated last year
- Code for the paper Context-Guided Diffusion for Out-of-Distribution Molecular and Protein Design☆32Updated 2 months ago
- Cython implementation of PDB -> DataFrame parsing☆19Updated last year