Alternatives and similar repositories for ESTAG:

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

• chao1224 / MoleculeSDE
  A Group Symmetric Stochastic Differential Equation Model for Molecule Multi-modal Pretraining, ICML'23
  ☆32Updated last year
• HICAI-ZJU / iMoLD
  Official implementation for Learning Invariant Molecular Representation in Latent Discrete Space (NeurIPS 2023)
  ☆21Updated last year
• CRIPAC-DIG / tgm-dlm
  Code for AAAI24 paper Text-Guided Molecule Generation with Diffusion Language Model
  ☆24Updated 8 months ago
• zaixizhang / FAIR
  NeurIPS 2023 Spotlight paper: Full atom protein pocket design via iterative refinement
  ☆46Updated last year
• ujk21 / dyn-informed
  ☆11Updated last year
• masa-ue / ProDifEvo-Refinement
  Evolutionary Algorithm with Diffusion Models for Protein Design
  ☆21Updated 2 months ago
• wuhuaijin / EBMDock
  Official implementation for the paper "EBMDOCK: NEURAL PROBABILISTIC PROTEIN-PROTEIN DOCKING VIA A DIFFERENTIABLE ENERGY-BASED MODEL" (IC…
  ☆13Updated 11 months ago
• schwallergroup / mhnn
  Molecular Hypergraph Neural Network
  ☆35Updated 8 months ago
• hanjq17 / GeoTDM
  [NeurIPS 2024] The implementation for the paper "Geometric Trajectory Diffusion Models".
  ☆27Updated 2 months ago
• ddz16 / MoMu
  The PyTorch implementation of MoMu, described in "Natural Language-informed Modeling of Molecule Graphs".
  ☆27Updated last year
• Rich-XGK / GTMGC
  Implementation of GTMGC: Using Graph Transformer to Predict Molecule’s Ground-State Conformation (ICLR2024 Spotlight).
  ☆16Updated last year
• DeepGraphLearning / SiamDiff
  Code for Pre-training Protein Encoder via Siamese Sequence-Structure Diffusion Trajectory Prediction (https://arxiv.org/abs/2301.12068)
  ☆39Updated last year
• AzureLeon1 / awesome-molecular-diffusion-models
  A curated list of papers related to molecular diffusion models.
  ☆23Updated 2 weeks ago
• IDEA-XL / InstructMol
  InstructMol: Multi-Modal Integration for Building a Versatile and Reliable Molecular Assistant in Drug Discovery (COLING 2025)
  ☆47Updated 4 months ago
• yangzhao1230 / GraphTextRetrieval
  Part of official implementation of "Natural language-informed learning of molecule graphs"
  ☆18Updated last year
• smiles724 / Awesome-Diffusion-Models-for-Science
  ☆26Updated last year
• GRAPH-0 / CDGS
  Conditional Diffusion Based on Discrete Graph Structures for Molecular Graph Generation
  ☆33Updated last year
• chao1224 / GeoSSL
  GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1…
  ☆46Updated last year
• phenixace / MolReGPT
  ☆50Updated 10 months ago
• GLAD-RUC / FastEGNN
  Source code of "Improving Equivariant Graph Neural Networks on Large Geometric Graphs via Virtual Nodes Learning"
  ☆24Updated 3 months ago
• syr-cn / SimSGT
  [NeurIPS 2023] "Rethinking Tokenizer and Decoder in Masked Graph Modeling for Molecules"
  ☆36Updated last year
• SXKDZ / MARCEL
  [ICLR 2024] MARCEL: Machine Learning over Molecular Conformer Ensembles
  ☆42Updated last year
• FanmengWang / MMPolymer
  [CIKM2024] The official implementation of "MMPolymer: A Multimodal Multitask Pretraining Framework for Polymer Property Prediction"
  ☆19Updated 5 months ago
• limei0307 / GQT
  The repository implements the paper "Learning Graph Quantized Tokenizers for Transformers".
  ☆9Updated 2 weeks ago
• NYUSHCS / MolecularGPT
  ☆30Updated 9 months ago
• thejonaslab / vonmises-icml-2023
  ☆10Updated last year
• MinkaiXu / AliDiff
  NeurIPS24: Aligning Target-Aware Molecule Diffusion Models with Exact Energy Optimization
  ☆29Updated 2 weeks ago
• bytedance / DecompDiff
  The official implementation of DecompDiff: Diffusion Models with Decomposed Priors for Structure-Based Drug Design (ICML 2023)
  ☆60Updated last year
• shenoynikhil / ETFlow
  Source code for Equivariant Flow Matching for Molecular Conformer Generation
  ☆28Updated 3 months ago
• syr-cn / ReLM
  [EMNLP 2023] ReLM: Leveraging Language Models for Enhanced Chemical Reaction Prediction.
  ☆20Updated last year