amorehead / awesome-equivariant-network
Paper list for equivariant neural network
☆10Updated 2 years ago
Alternatives and similar repositories for awesome-equivariant-network:
Users that are interested in awesome-equivariant-network are comparing it to the libraries listed below
- Intrinsic-Extrinsic Convolution and Pooling for Learning on 3D Protein Structures☆49Updated 3 years ago
- OTGNN code☆55Updated 4 years ago
- Implementation of Geometric Vector Perceptron, a simple circuit for 3d rotation equivariance for learning over large biomolecules, in Pyt…☆72Updated 3 years ago
- Work on designing a graph co-attention algorithm.☆18Updated last year
- [ICLR 2023] "HotProtein: A Novel Framework for Protein Thermostability Prediction and Editing" by Tianlong Chen*, Chengyue Gong*, Daniel …☆27Updated last year
- Database of Interacting Protein Structures (DIPS)☆96Updated last year
- Code for "Biological Sequence Design with GFlowNets", 2022☆72Updated last year
- Research repository for the proposed equivariant graph attention network that operates on large biomolecules proposed by Le et al. (2022)☆19Updated 2 years ago
- An End-to-End Framework for Molecular Conformation Generation via Bilevel Programming (ICML'21)☆51Updated 3 years ago
- The official implementation of Energy-Inspired Molecular Conformation Optimization (ICLR 2022)☆36Updated 2 years ago
- Code for Fold2Seq paper from ICML 2021☆50Updated 2 years ago
- Drug Discovery under Covariate Shift with Domain-Informed Prior Distributions over Functions☆24Updated last year
- Code for the paper Context-Guided Diffusion for Out-of-Distribution Molecular and Protein Design☆37Updated 6 months ago
- ☆52Updated 3 years ago
- Generative model for molecular distance geometry☆38Updated last year
- Repository for Autobahn: Automorphism Based Graph Neural Networks☆29Updated 2 years ago
- A geometric deep learning pipeline for predicting protein interface contacts. (ICLR 2022)☆63Updated 2 years ago
- Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)☆45Updated 3 years ago
- Code to reproduce experiments in "Accelerating Bayesian Optimization for Protein Design with Denoising Autoencoders" (Stanton et al 2022)☆68Updated 8 months ago
- ☆9Updated 2 years ago
- Source code for ICLR 2021 paper: "Molecule Optimization by Explainable Evolution"☆28Updated 3 years ago
- Code and data for QMO https://arxiv.org/abs/2011.01921☆35Updated 3 years ago
- GeneDisco is a benchmark suite for evaluating active learning algorithms for experimental design in drug discovery.☆37Updated last year
- ☆81Updated last year
- Official repository for discrete Walk-Jump Sampling (dWJS)☆48Updated 8 months ago
- Materials for KDD2023 tutorial: Knowledge-augmented Graph Machine Learning for Drug Discovery: from Precision to Interpretability☆21Updated last year
- ☆31Updated 9 months ago
- A Group Symmetric Stochastic Differential Equation Model for Molecule Multi-modal Pretraining, ICML'23☆32Updated 10 months ago
- Exploring the space of drug combinations to discover synergistic drugs using Active Learning☆23Updated 6 months ago
- Code of our IJCAI2021 paper: "Learning Attributed Graph Representation with Communicative Message Passing Transformer"☆39Updated 2 years ago