Alternatives and similar repositories for meg

Users that are interested in meg are comparing it to the libraries listed below

• gmum / graph-representations
  Comparing graph representations for molecular features prediction
  ☆24Updated 2 years ago
• MinkaiXu / ConfVAE-ICML21
  An End-to-End Framework for Molecular Conformation Generation via Bilevel Programming (ICML'21)
  ☆51Updated 4 years ago
• Bayer-Group / eqgat
  Research repository for the proposed equivariant graph attention network that operates on large biomolecules proposed by Le et al. (2022)
  ☆20Updated 2 years ago
• AITRICS / mol_reliable_gnn
  Source codes for 'A baseline for reliable molecular prediction models via Bayesian learning'
  ☆29Updated 4 years ago
• TUM-DAML / synthetic_coordinates
  Synthetic coordinates for GNNs, as proposed in "Directional Message Passing on Molecular Graphs via Synthetic Coordinates" (NeurIPS 2021)
  ☆30Updated 2 years ago
• dhroth / c5t5
  Official Implementation of "C5T5: Controllable Generation of Organic Molecules with Transformers"
  ☆24Updated 3 years ago
• rochesterxugroup / DSGPM
  Deep Supervised Graph Partitioning Model
  ☆14Updated 4 years ago
• lhirschfeld / ChempropUncertaintyQuantification
  Message Passing Neural Networks for Molecule Property Prediction
  ☆24Updated 5 years ago
• isayevlab / DRACON
  ☆16Updated 2 years ago
• binghong-ml / MolEvol
  Source code for ICLR 2021 paper: "Molecule Optimization by Explainable Evolution"
  ☆30Updated 4 years ago
• zetayue / MXMNet
  Source code for "Molecular Mechanics-Driven Graph Neural Network with Multiplex Graph for Molecular Structures"
  ☆73Updated last year
• georgelamb19 / chempropBayes
  Bayesian MPNNs for Molecular Property Prediction
  ☆28Updated 4 years ago
• futianfan / DST
  (differentiable) gradient-based optimization on a chemical graph for de novo molecule design/optimization (ICLR 2022)
  ☆31Updated 2 years ago
• danielflamshep / xyztransformer
  coming soon
  ☆28Updated 2 years ago
• fork123aniket / Molecule-Graph-Generation
  Molecule Graph Generation using Graph Convolutional Networks-based Variational Graph AutoEncoders (VGAE) in PyTorch
  ☆24Updated 11 months ago
• HyTruongSon / MGVAE
  Multiresolution Equivariant Graph Variational Autoencoder (MGVAE) https://arxiv.org/abs/2106.00967
  ☆24Updated 11 months ago
• gncs / graphdg
  Generative model for molecular distance geometry
  ☆38Updated 2 years ago
• MinkaiXu / CGCF-ConfGen
  Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)
  ☆46Updated 4 years ago
• yangkevin2 / icml2020-stochastic-iterative-target-augmentation
  ☆11Updated 5 years ago
• ml-jku / mhn-react
  Modern Hopfield Network (MHN) for template relevance prediction
  ☆45Updated 2 years ago
• ml-jku / hyper-dti
  HyperPCM: Robust task-conditioned modeling of drug-target interactions
  ☆38Updated last year
• PattanaikL / chiral_gnn
  ☆21Updated 3 years ago
• DeepGraphLearning / GraphAF
  ☆57Updated 4 years ago
• Networks-Learning / nevae
  Code and data for "NeVAE: A Deep Generative Model for Molecular Graphs", AAAI 2019
  ☆56Updated 5 years ago
• henrymoss / BOSS
  Bayesian Optimisation for String Spaces
  ☆24Updated 3 years ago
• nyu-dl / dl4chem-geometry
  ☆63Updated 6 years ago
• risilab / Autobahn
  Repository for Autobahn: Automorphism Based Graph Neural Networks
  ☆30Updated 3 years ago
• Ryan-Rhys / Constrained-Bayesian-Optimisation-for-Automatic-Chemical-Design
  Code to accompany the paper "Constrained Bayesian Optimisation for Automatic Chemical Design" https://pubs.rsc.org/en/content/articlehtml…
  ☆52Updated 2 years ago
• josejimenezluna / xaibench_tf
  Supporting models and data to doi 10.1021/acs.jcim.1c01163
  ☆15Updated 3 years ago
• MolecularAI / reaction-graph-link-prediction
  ☆16Updated last year