Alternatives and similar repositories for awesome-equivariant-network:

Users that are interested in awesome-equivariant-network are comparing it to the libraries listed below

• andreeadeac22 / graph_coattention
  Work on designing a graph co-attention algorithm.
  ☆18Updated last year
• phermosilla / IEConv_proteins
  Intrinsic-Extrinsic Convolution and Pooling for Learning on 3D Protein Structures
  ☆47Updated 3 years ago
• MinkaiXu / ConfVAE-ICML21
  An End-to-End Framework for Molecular Conformation Generation via Bilevel Programming (ICML'21)
  ☆51Updated 3 years ago
• DeepGraphLearning / GraphAF
  ☆54Updated 3 years ago
• lucidrains / geometric-vector-perceptron
  Implementation of Geometric Vector Perceptron, a simple circuit for 3d rotation equivariance for learning over large biomolecules, in Pyt…
  ☆73Updated 3 years ago
• cgoliver / rnaglib
  Deep learning datasets for RNA 3D and 2.5D structures.
  ☆34Updated this week
• Bayer-Group / eqgat
  Research repository for the proposed equivariant graph attention network that operates on large biomolecules proposed by Le et al. (2022)
  ☆19Updated 2 years ago
• leojklarner / Q-SAVI
  Drug Discovery under Covariate Shift with Domain-Informed Prior Distributions over Functions
  ☆24Updated last year
• nyu-dl / dl4chem-geometry
  ☆63Updated 6 years ago
• guanjq / confopt_official
  The official implementation of Energy-Inspired Molecular Conformation Optimization (ICLR 2022)
  ☆36Updated 2 years ago
• georgelamb19 / chempropBayes
  Bayesian MPNNs for Molecular Property Prediction
  ☆27Updated 4 years ago
• genedisco / genedisco
  GeneDisco is a benchmark suite for evaluating active learning algorithms for experimental design in drug discovery.
  ☆37Updated last year
• benatorc / OTGNN
  OTGNN code
  ☆55Updated 4 years ago
• binghong-ml / MolEvol
  Source code for ICLR 2021 paper: "Molecule Optimization by Explainable Evolution"
  ☆28Updated 3 years ago
• danielflamshep / xyztransformer
  coming soon
  ☆28Updated 2 years ago
• RECOVERcoalition / Recover
  Exploring the space of drug combinations to discover synergistic drugs using Active Learning
  ☆24Updated 8 months ago
• IBM / fold2seq
  Code for Fold2Seq paper from ICML 2021
  ☆50Updated 2 years ago
• yataobian / awesome-DrugAI
  Research repo for AI aided drug discovery, de novo drug development and related topics
  ☆35Updated 3 years ago
• VITA-Group / HotProtein
  [ICLR 2023] "HotProtein: A Novel Framework for Protein Thermostability Prediction and Editing" by Tianlong Chen*, Chengyue Gong*, Daniel …
  ☆31Updated 2 years ago
• IBM / QMO
  Code and data for QMO https://arxiv.org/abs/2011.01921
  ☆35Updated 3 years ago
• DeepGraphLearning / CGCF-ConfGen
  Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)
  ☆22Updated 3 years ago
• MJ10 / BioSeq-GFN-AL
  Code for "Biological Sequence Design with GFlowNets", 2022
  ☆73Updated 2 years ago
• NVlabs / protcomposer
  ☆38Updated 2 months ago
• BioinfoMachineLearning / DeepInteract
  A geometric deep learning framework (Geometric Transformers) for predicting protein interface contacts. (ICLR 2022)
  ☆64Updated 2 years ago
• leojklarner / context-guided-diffusion
  Code for the paper Context-Guided Diffusion for Out-of-Distribution Molecular and Protein Design
  ☆37Updated 9 months ago
• BioinfoMachineLearning / DIPS-Plus
  The Enhanced Database of Interacting Protein Structures for Interface Prediction
  ☆48Updated last year
• ml-jku / vnegnn
  ☆31Updated last week
• prescient-design / cortex
  A Modular Architecture for Deep Learning Systems
  ☆40Updated 3 weeks ago
• gncs / graphdg
  Generative model for molecular distance geometry
  ☆39Updated 2 years ago
• chao1224 / n_gram_graph
  N-Gram Graph: Simple Unsupervised Representation for Graphs, NeurIPS'19 (https://arxiv.org/abs/1806.09206)
  ☆38Updated 4 years ago