Alternatives and similar repositories for MARCEL

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

• chao1224 / MoleculeSDE
  A Group Symmetric Stochastic Differential Equation Model for Molecule Multi-modal Pretraining, ICML'23
  ☆33Updated 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
• shamim-hussain / tgt
  Triplet Graph Transformer
  ☆50Updated 4 months ago
• DongkiKim95 / Mol-LLaMA
  Official Code Repository for the paper "Mol-LLaMA: Towards General Understanding of Molecules in Large Molecular Language Model"
  ☆29Updated 4 months ago
• shehzaidi / pre-training-via-denoising
  Official implementation of pre-training via denoising for TorchMD-NET
  ☆99Updated 2 years ago
• qiangbo1222 / HierDiff
  Implementation of ICML2023 paper : Coarse-to-Fine: a Hierarchical Diffusion Model for Molecule Generation in 3D
  ☆50Updated 2 years ago
• schwallergroup / mhnn
  Molecular Hypergraph Neural Network
  ☆43Updated 7 months ago
• AzureLeon1 / awesome-molecular-diffusion-models
  A curated list of papers related to molecular diffusion models.
  ☆83Updated 7 months ago
• BingSu12 / MoMu
  ☆24Updated 3 years ago
• GT4SD / multitask_text_and_chemistry_t5
  Code for "Unifying Molecular and Textual Representations via Multi-task Language Modelling" @ ICML 2023
  ☆46Updated last year
• chao1224 / Geom3D
  Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023
  ☆133Updated last year
• zaixizhang / FLAG
  Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"
  ☆71Updated last year
• yuewan2 / Retroformer
  ☆50Updated 3 years ago
• YangLing0818 / IRDiff
  [ICML 2024] Interaction-based Retrieval-augmented Diffusion Models for Protein-specific 3D Molecule Generation
  ☆35Updated last year
• c-tl / GeoMFormer
  ☆17Updated last year
• YinanHuang / 3DLinker
  An E(3) Equivariant Variational Autoencoder for Molecular Linker Design
  ☆51Updated 3 years ago
• Rose-STL-Lab / LIMO
  generative model for drug discovery
  ☆64Updated 3 months ago
• syr-cn / SimSGT
  [NeurIPS 2023] "Rethinking Tokenizer and Decoder in Masked Graph Modeling for Molecules"
  ☆40Updated last year
• liugangcode / Graph-DiT
  The code for "Graph Diffusion Transformer for Multi-Conditional Molecular Generation"
  ☆103Updated 8 months ago
• Deno-V / tgm-dlm
  Code for AAAI24 paper Text-Guided Molecule Generation with Diffusion Language Model
  ☆21Updated 7 months ago
• SeulLee05 / MOOD
  Official code repository for the paper Exploring Chemical Space with Score-based Out-of-distribution Generation (ICML 2023)
  ☆40Updated last year
• THUNLP-MT / PS-VAE
  This repo contains the codes for our paper: Molecule Generation by Principal Subgraph Mining and Assembling.
  ☆43Updated last year
• futianfan / DST
  (differentiable) gradient-based optimization on a chemical graph for de novo molecule design/optimization (ICLR 2022)
  ☆31Updated 2 years ago
• DirectMolecularConfGen / DMCG
  ☆62Updated 3 years ago
• jiaor17 / 3D-EMGP
  [AAAI 2023] The implementation for the paper "Energy-Motivated Equivariant Pretraining for 3D Molecular Graphs"
  ☆33Updated last year
• GLAD-RUC / FastEGNN
  Source code of "Improving Equivariant Graph Neural Networks on Large Geometric Graphs via Virtual Nodes Learning"
  ☆29Updated 7 months ago
• zoom-wang112358 / MOLLEO
  Source code of MOLLEO
  ☆53Updated 6 months ago
• MinkaiXu / AliDiff
  NeurIPS24: Aligning Target-Aware Molecule Diffusion Models with Exact Energy Optimization
  ☆41Updated 10 months ago
• hwwang55 / MolR
  Chemical-Reaction-Aware Molecule Representation Learning
  ☆83Updated 3 years ago
• O-GNN / O-GNN
  ☆14Updated 2 years ago