Alternatives and similar repositories for GeometricTransformerMolecule

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

• schwallergroup / mhnn
  Molecular Hypergraph Neural Network
  ☆38Updated 2 weeks ago
• lowkc / solv_gnn
  GNNs for predicting solubility of molecules in organic solvents using PyTorch and DGL
  ☆12Updated 2 years ago
• YinanHuang / 3DLinker
  An E(3) Equivariant Variational Autoencoder for Molecular Linker Design
  ☆47Updated 2 years ago
• juanniwu / t-SMILES
  ☆34Updated 3 months ago
• meyresearch / SILVR
  ☆38Updated last year
• Augus1999 / bayesian-flow-network-for-chemistry
  ChemBFN: Bayesian Flow Network Framework for Chemistry Tasks. Developed in Hiroshima University.
  ☆25Updated last week
• zaixizhang / FLAG
  Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"
  ☆69Updated last year
• pnnl / solubility-prediction-paper
  ☆14Updated 3 years ago
• jostorge / diffusion-hopping
  DiffHopp: A Graph Diffusion Model for Novel Drug Design via Scaffold Hopping
  ☆32Updated last year
• nobiastx / diffusion-conformer
  Diffusion-based molecule conformer generation
  ☆41Updated last year
• SylwiaNowakowska / LLM_Fine_Tuning_Molecular_Properties
  Fine-tuning of ChemBERTA LLMs to predict molecules' HIV inhibition replication.
  ☆28Updated last year
• vgsatorras / probai
  Deep Generative Models: Diffusion Models for Molecule Generation
  ☆10Updated last year
• HySonLab / Protein_Pretrain
  Multimodal Pretraining for Unsupervised Protein Representation Learning
  ☆22Updated 11 months ago
• DirectMolecularConfGen / DMCG
  ☆57Updated 2 years ago
• schwallergroup / saturn
  Sample-efficient Generative Molecular Design using Memory Manipulation
  ☆57Updated last month
• chao1224 / GeoSSL
  GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1…
  ☆46Updated last year
• Ishan-Kumar2 / Molecular_VAE_Pytorch
  PyTorch implementation of the paper "Automatic Chemical Design Using a Data-Driven Continuous Representation of Molecules"
  ☆30Updated 4 years ago
• qiangbo1222 / HierDiff
  Implementation of ICML2023 paper : Coarse-to-Fine: a Hierarchical Diffusion Model for Molecule Generation in 3D
  ☆48Updated 2 years ago
• pengxingang / MolDiff
  MolDiff: Addressing the Atom-Bond Inconsistency Problem in 3D Molecule Diffusion Generation
  ☆64Updated 11 months ago
• chao1224 / Geom3D
  Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023
  ☆122Updated last year
• luost26 / ChemProjector
  Projecting Molecules into Synthesizable Chemical Spaces (ICML 2024)
  ☆43Updated 3 weeks ago
• PaccMann / chemical_representation_learning_for_toxicity_prediction
  Chemical representation learning paper in Digital Discovery
  ☆60Updated last year
• AITRICS / FREED
  Fragment-based generative RL with Explorative Experience replay for Drug design (FREED)
  ☆54Updated 3 years ago
• suneelbvs / DiffDock
  Colab version of "DiffDock: : Diffusion Steps, Twists, and Turns for Molecular Docking"
  ☆26Updated 2 years ago
• KemperNiklas / FragNet
  Official Implementation of Expressivity and Generalization: Fragment-Biases for Molecular GNNs
  ☆19Updated 8 months ago
• Hyunseung-Kim / molGCT
  ☆26Updated last year
• danielflamshep / xyztransformer
  coming soon
  ☆28Updated 2 years ago
• THGLab / LP-PDBBind
  ☆44Updated this week
• Rose-STL-Lab / LIMO
  generative model for drug discovery
  ☆63Updated this week
• jiaor17 / 3D-EMGP
  [AAAI 2023] The implementation for the paper "Energy-Motivated Equivariant Pretraining for 3D Molecular Graphs"
  ☆34Updated 10 months ago