Alternatives and similar repositories for QuinNet

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

• yuanqidu / LeftNet
  ☆60Updated last year
• vict0rsch / faenet
  ☆34Updated 10 months ago
• shehzaidi / pre-training-via-denoising
  Official implementation of pre-training via denoising for TorchMD-NET
  ☆98Updated 2 years ago
• c-tl / GeoMFormer
  ☆17Updated last year
• wu-han-lin / CrysBFN
  ☆20Updated 5 months ago
• gracezhao1997 / EEGSDE
  This is the official implementation for Equivariant Enengy-guided SDE for Inverse Molecule Design (ICLR 2023)
  ☆48Updated 2 years ago
• igashov / RetroBridge
  RetroBridge: Markov Bridge Model for Retrosynthesis Planning
  ☆32Updated last year
• MinkaiXu / AliDiff
  NeurIPS24: Aligning Target-Aware Molecule Diffusion Models with Exact Energy Optimization
  ☆40Updated 8 months ago
• chao1224 / Geom3D
  Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023
  ☆130Updated last year
• facebookresearch / JMP
  Code for “From Molecules to Materials Pre-training Large Generalizable Models for Atomic Property Prediction”.
  ☆61Updated last year
• GenSI-THUAIR / MolFM
  Implementation for NeurIPS 2023 paper "Equivariant Flow Matching with Hybrid Probability Transport for 3D Molecule Generation"
  ☆40Updated last year
• ai4sci-research / ai4sci-research.github.io
  ☆17Updated last year
• GenSI-THUAIR / GeoBFN
  Implementation for ICLR2024 Oral paper "Unified Generative Modeling of 3D Molecules with Bayesian Flow Networks"
  ☆59Updated last year
• DiXue98 / PDVN
  The official code for PDVN: Retrosynthetic Planning with Dual Value Networks (ICML 2023)
  ☆30Updated last year
• SXKDZ / MARCEL
  [ICLR 2024] MARCEL: Machine Learning over Molecular Conformer Ensembles
  ☆44Updated 2 years ago
• Dunni3 / FlowMol
  Mixed continous/categorical flow-matching model for de novo molecule generation.
  ☆173Updated 3 months ago
• nayoung10 / MOFFlow
  Implementation for MOFFlow: Flow Matching for Structure Prediction of Metal-Organic Frameworks
  ☆18Updated 3 months ago
• SeulLee05 / MOOD
  Official code repository for the paper Exploring Chemical Space with Score-based Out-of-distribution Generation (ICML 2023)
  ☆41Updated last year
• facebookresearch / flowmm
  Code for “FlowMM Generating Materials with Riemannian Flow Matching” and "FlowLLM: Flow Matching for Material Generation with Large Langu…
  ☆170Updated last year
• chao1224 / MoleculeSDE
  A Group Symmetric Stochastic Differential Equation Model for Molecule Multi-modal Pretraining, ICML'23
  ☆33Updated last year
• bytedance / DecompDiff
  The official implementation of DecompDiff: Diffusion Models with Decomposed Priors for Structure-Based Drug Design (ICML 2023)
  ☆69Updated 2 years ago
• YangLing0818 / IRDiff
  [ICML 2024] Interaction-based Retrieval-augmented Diffusion Models for Protein-specific 3D Molecule Generation
  ☆34Updated last year
• hanjq17 / GMN
  [ICLR 2022] The implementation for the paper "Equivariant Graph Mechanics Networks with Constraints".
  ☆63Updated last year
• qiangbo1222 / HierDiff
  Implementation of ICML2023 paper : Coarse-to-Fine: a Hierarchical Diffusion Model for Molecule Generation in 3D
  ☆50Updated 2 years ago
• GLAD-RUC / HEGNN
  Official implementation of HEGNN, a novel high-degree equivariant graph neural network proposed in the NeurIPS 2024 paper 'Are High-Degre…
  ☆30Updated last year
• chao1224 / GeoSSL
  GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1…
  ☆47Updated 2 years ago
• wenhao-gao / mol_opt
  ☆226Updated last year
• microsoft / DVMP
  The official implementation of dual-view molecule pre-training.
  ☆43Updated 4 years ago
• GenSI-THUAIR / MolCRAFT
  Official repository for MolCRAFT series
  ☆134Updated last month
• AzureLeon1 / awesome-molecular-diffusion-models
  A curated list of papers related to molecular diffusion models.
  ☆74Updated 6 months ago