Alternatives and similar repositories for tgt:

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

• chao1224 / Geom3D
  Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023
  ☆119Updated 9 months ago
• shehzaidi / pre-training-via-denoising
  Official implementation of pre-training via denoising for TorchMD-NET
  ☆89Updated 2 years ago
• SXKDZ / MARCEL
  [ICLR 2024] MARCEL: Machine Learning over Molecular Conformer Ensembles
  ☆42Updated last year
• liugangcode / Graph-DiT
  The code for "Graph Diffusion Transformer for Multi-Conditional Molecular Generation"
  ☆54Updated 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
• jiaor17 / 3D-EMGP
  [AAAI 2023] The implementation for the paper "Energy-Motivated Equivariant Pretraining for 3D Molecular Graphs"
  ☆35Updated 6 months ago
• junxia97 / Mole-BERT
  [ICLR 2023] "Mole-BERT: Rethinking Pre-training Graph Neural Networks for Molecules"
  ☆114Updated last year
• AlexDuvalinho / geometric-gnns
  List of Geometric GNNs for 3D atomic systems
  ☆104Updated last year
• Vencent-Won / SGGRL
  The implementation of the paper "Multi-Modal Representation Learning for Molecular Property Prediction: Sequence, Graph, Geometry".
  ☆41Updated 3 months ago
• chao1224 / MoleculeSDE
  A Group Symmetric Stochastic Differential Equation Model for Molecule Multi-modal Pretraining, ICML'23
  ☆32Updated 11 months ago
• zaixizhang / FLAG
  Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"
  ☆62Updated 11 months ago
• XieResearchGroup / Physics-aware-Multiplex-GNN
  Code for our Nature Scientific Reports paper "A universal framework for accurate and efficient geometric deep learning of molecular syste…
  ☆63Updated 4 months ago
• ZangXuan / HiMol
  ☆23Updated last year
• microsoft / DVMP
  The official implementation of dual-view molecule pre-training.
  ☆41Updated 3 years ago
• schwallergroup / mhnn
  Molecular Hypergraph Neural Network
  ☆34Updated 7 months ago
• qiangbo1222 / HierDiff
  Implementation of ICML2023 paper : Coarse-to-Fine: a Hierarchical Diffusion Model for Molecule Generation in 3D
  ☆41Updated last year
• pengxingang / MolDiff
  MolDiff: Addressing the Atom-Bond Inconsistency Problem in 3D Molecule Diffusion Generation
  ☆47Updated 8 months ago
• shenoynikhil / ETFlow
  Source code for Equivariant Flow Matching for Molecular Conformer Generation
  ☆25Updated 2 months ago
• THUNLP-MT / PS-VAE
  This repo contains the codes for our paper: Molecule Generation by Principal Subgraph Mining and Assembling.
  ☆39Updated 11 months ago
• GLAD-RUC / FastEGNN
  Source code of "Improving Equivariant Graph Neural Networks on Large Geometric Graphs via Virtual Nodes Learning"
  ☆23Updated 3 months ago
• lihan97 / KPGT
  codes for KPGT (Knowledge-guided Pre-training of Graph Transformer)
  ☆105Updated 6 months ago
• MinkaiXu / CGCF-ConfGen
  Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)
  ☆46Updated 3 years ago
• AlgoMole / MolFM
  Implementation for NeurIPS 2023 paper "Equivariant Flow Matching with Hybrid Probability Transport for 3D Molecule Generation"
  ☆33Updated 9 months ago
• DirectMolecularConfGen / DMCG
  ☆51Updated 2 years ago
• idrugLab / hignn
  Code for "HiGNN: A Hierarchical Informative Graph Neural Network for Molecular Property Prediction Equipped with Feature-Wise Attention"
  ☆46Updated 2 years ago
• facebookresearch / JMP
  Code for “From Molecules to Materials Pre-training Large Generalizable Models for Atomic Property Prediction”.
  ☆52Updated 5 months ago
• GLAD-RUC / GGNN4Science
  ☆114Updated 3 weeks ago
• HySonLab / Protein_Pretrain
  Multimodal Pretraining for Unsupervised Protein Representation Learning
  ☆21Updated 7 months ago
• Rose-STL-Lab / LIMO
  generative model for drug discovery
  ☆59Updated last year
• AlgoMole / GeoBFN
  Implementation for ICLR2024 Oral paper "Unified Generative Modeling of 3D Molecules with Bayesian Flow Networks"
  ☆46Updated 9 months ago