Alternatives and similar repositories for Transformer-M

Users that are interested in Transformer-M are comparing it to the libraries listed below

• junxia97 / Mole-BERT
  [ICLR 2023] "Mole-BERT: Rethinking Pre-training Graph Neural Networks for Molecules"
  ☆129Updated 2 years ago
• chao1224 / GraphMVP
  Pre-training Molecular Graph Representation with 3D Geometry, ICLR'22 (https://openreview.net/forum?id=xQUe1pOKPam)
  ☆210Updated 3 years ago
• zjunlp / MolGen
  [ICLR 2024] Domain-Agnostic Molecular Generation with Chemical Feedback
  ☆186Updated last year
• HannesStark / 3DInfomax
  Making self-supervised learning work on molecules by using their 3D geometry to pre-train GNNs. Implemented in DGL and Pytorch Geometric.
  ☆172Updated 2 years ago
• yuyangw / MolCLR
  Implementation of MolCLR: "Molecular Contrastive Learning of Representations via Graph Neural Networks" in PyG.
  ☆314Updated 2 years ago
• HICAI-ZJU / KANO
  Code and data for the Nature Machine Intelligence paper "Knowledge graph-enhanced molecular contrastive learning with functional prompt".
  ☆136Updated last year
• learningmatter-mit / geom
  GEOM: Energy-annotated molecular conformations
  ☆240Updated 3 years ago
• shehzaidi / pre-training-via-denoising
  Official implementation of pre-training via denoising for TorchMD-NET
  ☆99Updated 2 years ago
• chao1224 / MoleculeSTM
  Multi-modal Molecule Structure-text Model for Text-based Editing and Retrieval, Nat Mach Intell 2023 (https://www.nature.com/articles/s42…
  ☆250Updated 7 months ago
• DeepGraphLearning / ConfGF
  Implementation of Learning Gradient Fields for Molecular Conformation Generation (ICML 2021).
  ☆172Updated 4 years ago
• zaixizhang / MGSSL
  Official implementation of NeurIPS'21 paper"Motif-based Graph Self-Supervised Learning for Molecular Property Prediction"
  ☆127Updated 2 years ago
• blender-nlp / MolT5
  Associated Repository for "Translation between Molecules and Natural Language"
  ☆192Updated 2 years ago
• hwwang55 / MolR
  Chemical-Reaction-Aware Molecule Representation Learning
  ☆83Updated 3 years ago
• smiles724 / Molformer
  ☆96Updated 7 months ago
• guanjq / targetdiff
  The official implementation of 3D Equivariant Diffusion for Target-Aware Molecule Generation and Affinity Prediction (ICLR 2023)
  ☆319Updated 2 years ago
• MinkaiXu / GeoDiff
  Implementation of GeoDiff: a Geometric Diffusion Model for Molecular Conformation Generation (ICLR 2022).
  ☆402Updated 2 years ago
• microsoft / DVMP
  The official implementation of dual-view molecule pre-training.
  ☆43Updated 4 years ago
• lihan97 / KPGT
  codes for KPGT (Knowledge-guided Pre-training of Graph Transformer)
  ☆122Updated last year
• tencent-ailab / grover
  This is a Pytorch implementation of the paper: Self-Supervised Graph Transformer on Large-Scale Molecular Data
  ☆382Updated 7 months ago
• DeepGraphLearning / GearNet
  GearNet and Geometric Pretraining Methods for Protein Structure Representation Learning, ICLR'2023 (https://arxiv.org/abs/2203.06125)
  ☆314Updated 7 months ago
• AzureLeon1 / awesome-molecular-diffusion-models
  A curated list of papers related to molecular diffusion models.
  ☆84Updated 8 months ago
• yuewan2 / Retroformer
  ☆51Updated 3 years ago
• biomed-AI / MolRep
  MolRep: A Deep Representation Learning Library for Molecular Property Prediction
  ☆129Updated last year
• GLAD-RUC / GGNN4Science
  ☆139Updated 7 months ago
• liugangcode / Graph-DiT
  The code for "Graph Diffusion Transformer for Multi-Conditional Molecular Generation"
  ☆103Updated 8 months ago
• amorehead / awesome-molecular-generation
  Awesome papers related to generative molecular modeling and design.
  ☆338Updated 6 months ago
• chao1224 / Geom3D
  Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023
  ☆132Updated last year
• zaixizhang / Awesome-SBDD
  Papers about Structure-based Drug Design (SBDD)
  ☆139Updated 5 months ago
• dptech-corp / Uni-Core
  an efficient distributed PyTorch framework
  ☆159Updated 6 months ago
• BioinfoMachineLearning / bio-diffusion
  A geometry-complete diffusion generative model (GCDM) for 3D molecule generation and optimization. (Nature CommsChem)
  ☆228Updated 8 months ago