Alternatives and similar repositories for FusionRetro:

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

• YangLing0818 / IRDiff
  [ICML 2024] Interaction-based Retrieval-augmented Diffusion Models for Protein-specific 3D Molecule Generation
  ☆23Updated 8 months ago
• SXKDZ / MARCEL
  [ICLR 2024] MARCEL: Machine Learning over Molecular Conformer Ensembles
  ☆42Updated last year
• THUNLP-MT / PS-VAE
  This repo contains the codes for our paper: Molecule Generation by Principal Subgraph Mining and Assembling.
  ☆40Updated last year
• yuewan2 / Retroformer
  ☆46Updated 2 years ago
• jiaor17 / 3D-EMGP
  [AAAI 2023] The implementation for the paper "Energy-Motivated Equivariant Pretraining for 3D Molecular Graphs"
  ☆34Updated 7 months ago
• chao1224 / GeoSSL
  GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1…
  ☆45Updated last year
• qiangbo1222 / HierDiff
  Implementation of ICML2023 paper : Coarse-to-Fine: a Hierarchical Diffusion Model for Molecule Generation in 3D
  ☆45Updated last year
• GT4SD / multitask_text_and_chemistry_t5
  Code for "Unifying Molecular and Textual Representations via Multi-task Language Modelling" @ ICML 2023
  ☆38Updated 7 months ago
• uta-smile / RetroXpert
  ☆65Updated 3 years ago
• chao1224 / MoleculeSDE
  A Group Symmetric Stochastic Differential Equation Model for Molecule Multi-modal Pretraining, ICML'23
  ☆31Updated last year
• zaixizhang / FLAG
  Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"
  ☆66Updated last year
• MinkaiXu / CGCF-ConfGen
  Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)
  ☆46Updated 3 years ago
• futianfan / DST
  (differentiable) gradient-based optimization on a chemical graph for de novo molecule design/optimization (ICLR 2022)
  ☆28Updated last year
• snu-micc / LocalMapper
  Precise reaction atom-to-atom mapping with LocalMapper
  ☆36Updated last month
• O-GNN / O-GNN
  ☆13Updated 2 years ago
• 20171130 / NERF
  Code for our paper Non-Autoregressive Electron Redistribution Modeling for Reaction Prediction (ICML 2021)
  ☆18Updated 3 years ago
• shehzaidi / pre-training-via-denoising
  Official implementation of pre-training via denoising for TorchMD-NET
  ☆91Updated 2 years ago
• DirectMolecularConfGen / DMCG
  ☆53Updated 2 years ago
• FanmengWang / MMPolymer
  [CIKM2024] The official implementation of "MMPolymer: A Multimodal Multitask Pretraining Framework for Polymer Property Prediction"
  ☆19Updated this week
• otori-bird / retrosynthesis
  ☆69Updated 11 months ago
• BingSu12 / MoMu
  ☆22Updated 2 years ago
• teslacool / UnifiedMolPretrain
  Unified 2D and 3D Pre-Training of Molecular Representations
  ☆30Updated 2 years ago
• bytedance / DecompDiff
  The official implementation of DecompDiff: Diffusion Models with Decomposed Priors for Structure-Based Drug Design (ICML 2023)
  ☆62Updated last year
• YangLing0818 / IPDiff
  [ICLR 2024] Protein-Ligand Interaction Prior for Binding-aware 3D Molecule Diffusion Models
  ☆41Updated 8 months ago
• hwwang55 / MolR
  Chemical-Reaction-Aware Molecule Representation Learning
  ☆76Updated 2 years ago
• AI-HPC-Research-Team / GIT-Mol
  A Multi-modal Large Language Model for Molecular Science with Graph, Image, and Text
  ☆30Updated last year
• HHW-zhou / LLM4Mol
  A comprehensive repository dedicated to the collection and exploration of studies utilizing Large Language Models for molecular design, p…
  ☆39Updated last year
• KyGao / ABGNN
  PyTorch code for KDD 2023 paper "Pre-training Antibody Language Models for Antigen-Specific Computational Antibody Design"
  ☆51Updated last year
• HICAI-ZJU / iMoLD
  Official implementation for Learning Invariant Molecular Representation in Latent Discrete Space (NeurIPS 2023)
  ☆21Updated last year
• microsoft / DVMP
  The official implementation of dual-view molecule pre-training.
  ☆41Updated 3 years ago