Alternatives and similar repositories for GeoSSL:

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

• qiangbo1222 / HierDiff
  Implementation of ICML2023 paper : Coarse-to-Fine: a Hierarchical Diffusion Model for Molecule Generation in 3D
  ☆42Updated last year
• pengxingang / MolDiff
  MolDiff: Addressing the Atom-Bond Inconsistency Problem in 3D Molecule Diffusion Generation
  ☆42Updated 6 months ago
• shehzaidi / pre-training-via-denoising
  Official implementation of pre-training via denoising for TorchMD-NET
  ☆89Updated last year
• zaixizhang / FLAG
  Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"
  ☆61Updated 9 months ago
• jiaor17 / 3D-EMGP
  [AAAI 2023] The implementation for the paper "Energy-Motivated Equivariant Pretraining for 3D Molecular Graphs"
  ☆34Updated 4 months ago
• DirectMolecularConfGen / DMCG
  ☆48Updated 2 years ago
• YangLing0818 / IPDiff
  [ICLR 2024] Protein-Ligand Interaction Prior for Binding-aware 3D Molecule Diffusion Models
  ☆33Updated 4 months ago
• THUNLP-MT / PS-VAE
  This repo contains the codes for our paper: Molecule Generation by Principal Subgraph Mining and Assembling.
  ☆38Updated 9 months ago
• chao1224 / MoleculeSDE
  A Group Symmetric Stochastic Differential Equation Model for Molecule Multi-modal Pretraining, ICML'23
  ☆31Updated 10 months ago
• ziqi92 / Modof
  Molecule Optimization via Fragment-based Generative Models
  ☆40Updated last year
• CMACH508 / KGDiff
  Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance
  ☆28Updated last year
• MinkaiXu / CGCF-ConfGen
  Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)
  ☆45Updated 3 years ago
• bowen-gao / DrugCLIP
  [NeurIPS 2023] DrugCLIP: Contrastive Protein-Molecule Representation Learning for Virtual Screening
  ☆77Updated 9 months ago
• zaixizhang / DrugGPS_ICML23
  Implementation of ICML23 paper "Learning Subpocket Prototypes for Generalizable Structure-based Drug Design"
  ☆29Updated 11 months ago
• YinanHuang / 3DLinker
  An E(3) Equivariant Variational Autoencoder for Molecular Linker Design
  ☆46Updated 2 years ago
• THUNLP-MT / GET
  This repo contains the codes for our paper "Generalist Equivariant Transformer Towards 3D Molecular Interaction Learning" (ICML 2024).
  ☆27Updated 4 months ago
• lmqfly / Geometry-Deep-Learning-for-Drug-Discovery
  Geometry Deep Learning for Drug Discovery and Life Science
  ☆62Updated 9 months ago
• uta-smile / RetroXpert
  ☆63Updated 3 years ago
• zaixizhang / Awesome-SBDD
  Papers about Structure-based Drug Design (SBDD)
  ☆92Updated last month
• Rose-STL-Lab / LIMO
  generative model for drug discovery
  ☆58Updated last year
• GRAPH-0 / JODO
  Learning Joint 2D & 3D Diffusion Models for Complete Molecule Generation
  ☆40Updated last year
• AlgoMole / MolFM
  Implementation for NeurIPS 2023 paper "Equivariant Flow Matching with Hybrid Probability Transport for 3D Molecule Generation"
  ☆31Updated 8 months ago
• tencent-ailab / MDM
  MDM
  ☆47Updated 11 months ago
• yuewan2 / Retroformer
  ☆46Updated 2 years ago
• coleygroup / Graph2SMILES
  ☆53Updated last year
• Ced3-han / PepFlowww
  Full-Atom Peptide Design based on Multi-modal Flow Matching (ICML 2024)
  ☆57Updated 3 months ago
• THUNLP-MT / MEAN
  This repo contains the codes for our paper Conditional Antibody Design as 3D Equivariant Graph Translation.
  ☆91Updated last year
• THUNLP-MT / PepGLAD
  Codes for our paper "Full-Atom Peptide Design with Geometric Latent Diffusion" (NeurIPS 2024)
  ☆42Updated 3 weeks ago
• smiles724 / ProtMD
  ☆62Updated 2 years ago
• huaishengzhu / 3MDiffusion
  ☆15Updated 3 weeks ago