Alternatives and similar repositories for EGNN-DGL:

Users that are interested in EGNN-DGL are comparing it to the libraries listed below

• MJ10 / BioSeq-GFN-AL
  Code for "Biological Sequence Design with GFlowNets", 2022
  ☆72Updated last year
• gncs / graphdg
  Generative model for molecular distance geometry
  ☆38Updated last year
• ml-jku / vnegnn
  ☆31Updated 8 months ago
• MinkaiXu / CGCF-ConfGen
  Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)
  ☆45Updated 3 years ago
• YinanHuang / 3DLinker
  An E(3) Equivariant Variational Autoencoder for Molecular Linker Design
  ☆46Updated 2 years ago
• igashov / RetroBridge
  RetroBridge: Markov Bridge Model for Retrosynthesis Planning
  ☆28Updated 9 months ago
• DeepGraphLearning / DiffPack
  Implementation of DiffPack: A Torsional Diffusion Model for Autoregressive Protein Side-Chain Packing
  ☆81Updated last year
• danielflamshep / xyztransformer
  coming soon
  ☆28Updated last year
• bjing2016 / scalar-fields
  Equivariant Scalar Fields for Molecular Docking with Fast Fourier Transforms
  ☆28Updated last year
• learningmatter-mit / GenZProt
  ☆26Updated 10 months ago
• guanjq / confopt_official
  The official implementation of Energy-Inspired Molecular Conformation Optimization (ICLR 2022)
  ☆36Updated 2 years ago
• prescient-design / holo-bench
  Benchmark for Biophysical Sequence Optimization Algorithms
  ☆15Updated 2 months ago
• phermosilla / IEConv_proteins
  Intrinsic-Extrinsic Convolution and Pooling for Learning on 3D Protein Structures
  ☆49Updated 2 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…
  ☆72Updated 3 years ago
• lucidrains / ddpm-ipa-protein-generation
  Implementation of the DDPM + IPA (invariant point attention) for protein generation, as outlined in the paper "Protein Structure and Sequ…
  ☆87Updated 2 years ago
• vict0rsch / faenet
  ☆33Updated last year
• mirunacrt / synflownet
  A GFlowNet with a chemical synthesis action space.
  ☆40Updated last month
• divelab / GraphBP
  Official implementation of "Generating 3D Molecules for Target Protein Binding" [ICML2022 Long Presentation]
  ☆106Updated last year
• Profluent-Internships / MMDiff
  Joint Sequence-Structure Generation of Nucleic Acid and Protein Complexes with SE(3)-Discrete Diffusion
  ☆54Updated 8 months ago
• LarsHoldijk / SOCTransitionPaths
  ☆26Updated 2 years ago
• anton-bushuiev / PPIformer
  Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)
  ☆47Updated this week
• mouthful / ClofNet
  ☆21Updated last year
• Rose-STL-Lab / LIMO
  generative model for drug discovery
  ☆58Updated last year
• AlgoMole / GeoBFN
  Implementation for ICLR2024 Oral paper "Unified Generative Modeling of 3D Molecules with Bayesian Flow Networks"
  ☆41Updated 7 months ago
• molML / s4-for-de-novo-drug-design
  The official codebase of the paper "Chemical language modeling with structured state space sequence models"
  ☆65Updated 5 months ago
• lujiarui / esmdiff
  ☆38Updated last month
• DirectMolecularConfGen / DMCG
  ☆48Updated 2 years ago
• LDeng0205 / confidence-bootstrapping
  Implementation of the Confidence Bootstrapping procedure for protein-ligand docking.
  ☆26Updated 10 months ago
• juanniwu / t-SMILES
  ☆29Updated last month
• futianfan / DST
  (differentiable) gradient-based optimization on a chemical graph for de novo molecule design/optimization (ICLR 2022)
  ☆26Updated last year