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
- Work on designing a graph co-attention algorithm.☆18Updated last year
- Intrinsic-Extrinsic Convolution and Pooling for Learning on 3D Protein Structures☆49Updated 3 years ago
- [ICLR 2023] "HotProtein: A Novel Framework for Protein Thermostability Prediction and Editing" by Tianlong Chen*, Chengyue Gong*, Daniel …☆30Updated 2 years ago
- Research repository for the proposed equivariant graph attention network that operates on large biomolecules proposed by Le et al. (2022)☆19Updated 2 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
- GeneDisco is a benchmark suite for evaluating active learning algorithms for experimental design in drug discovery.☆37Updated last year
- Database of Interacting Protein Structures (DIPS)☆98Updated last year
- ☆9Updated 2 years ago
- Code for "Biological Sequence Design with GFlowNets", 2022☆73Updated 2 years ago
- An End-to-End Framework for Molecular Conformation Generation via Bilevel Programming (ICML'21)☆51Updated 3 years ago
- Code of our IJCAI2021 paper: "Learning Attributed Graph Representation with Communicative Message Passing Transformer"☆39Updated 3 years ago
- Code for Fold2Seq paper from ICML 2021☆50Updated 2 years ago
- ☆53Updated 3 years ago
- Drug Discovery under Covariate Shift with Domain-Informed Prior Distributions over Functions☆24Updated last year
- Bayesian MPNNs for Molecular Property Prediction☆27Updated 4 years ago
- Source code for ICLR 2021 paper: "Molecule Optimization by Explainable Evolution"☆28Updated 3 years ago
- A geometric deep learning pipeline for predicting protein interface contacts. (ICLR 2022)☆63Updated 2 years ago
- Interpreting graph convolutional filters of target prediction network☆48Updated 6 years ago
- ☆32Updated 3 weeks ago
- DPPIN: A Biological Repository of Dynamic Protein-Protein Interaction Network Data, IEEE BigData 2022☆28Updated 2 years ago
- A diffusion model for structure-based drug design with faster inference from learned representations of protein structure.☆28Updated last year
- Energy-based models for atomic-resolution protein conformations☆97Updated 2 years ago
- Code for the paper Context-Guided Diffusion for Out-of-Distribution Molecular and Protein Design☆36Updated 8 months ago
- ☆81Updated last year
- Exploring the space of drug combinations to discover synergistic drugs using Active Learning☆24Updated 7 months ago
- Cython implementation of PDB -> DataFrame parsing☆23Updated last year
- Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)☆22Updated 3 years ago
- Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)☆45Updated 3 years ago
- A Modular Architecture for Deep Learning Systems☆40Updated 5 months ago