Alternatives and similar repositories for MolR:

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

• yuewan2 / Retroformer
  ☆46Updated 2 years ago
• uta-smile / RetroXpert
  ☆65Updated 3 years ago
• GT4SD / multitask_text_and_chemistry_t5
  Code for "Unifying Molecular and Textual Representations via Multi-task Language Modelling" @ ICML 2023
  ☆38Updated 8 months ago
• MinkaiXu / CGCF-ConfGen
  Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)
  ☆46Updated 3 years ago
• biomed-AI / MolRep
  MolRep: A Deep Representation Learning Library for Molecular Property Prediction
  ☆128Updated 7 months ago
• shehzaidi / pre-training-via-denoising
  Official implementation of pre-training via denoising for TorchMD-NET
  ☆91Updated 2 years ago
• MinkaiXu / ConfVAE-ICML21
  An End-to-End Framework for Molecular Conformation Generation via Bilevel Programming (ICML'21)
  ☆51Updated 3 years ago
• zaixizhang / FLAG
  Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"
  ☆66Updated 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
• yvquanli / TrimNet
  Code for paper "TrimNet: learning molecular representation from triplet messages for biomedicine "
  ☆52Updated last year
• divelab / GraphBP
  Official implementation of "Generating 3D Molecules for Target Protein Binding" [ICML2022 Long Presentation]
  ☆108Updated 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
• DirectMolecularConfGen / DMCG
  ☆54Updated 2 years ago
• QizhiPei / SSM-DTA
  SSM-DTA: Breaking the Barriers of Data Scarcity in Drug-Target Affinity Prediction (Briefings in Bioinformatics 2023)
  ☆52Updated 11 months ago
• smiles724 / ProtMD
  ☆64Updated 2 years ago
• zaixizhang / Awesome-SBDD
  Papers about Structure-based Drug Design (SBDD)
  ☆111Updated 5 months ago
• SY575 / CMPNN
  ☆75Updated last year
• otori-bird / retrosynthesis
  ☆69Updated 11 months ago
• SongtaoLiu0823 / FusionRetro
  [ICML 2023] FusionRetro: Molecule Representation Fusion via In-Context Learning for Retrosynthetic Planning
  ☆21Updated 6 months ago
• vsomnath / graphretro
  Learning Graph Models for Retrosynthesis Prediction (NeurIPS 2021)
  ☆50Updated last year
• Hanjun-Dai / GLN
  Implementation of Retrosynthesis Prediction with Conditional Graph Logic Network
  ☆123Updated 2 years ago
• kaist-amsg / LocalTransform
  Predicting Organic Reactivity with LocalTransform
  ☆46Updated last month
• Rose-STL-Lab / LIMO
  generative model for drug discovery
  ☆59Updated last year
• chao1224 / GeoSSL
  GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1…
  ☆45Updated last year
• HelloJocelynLu / t5chem
  Transformer-based model for chemical reactions
  ☆77Updated 2 weeks ago
• chao1224 / Geom3D
  Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023
  ☆118Updated 11 months ago
• coleygroup / Graph2SMILES
  ☆55Updated last year
• divelab / MoleculeX
  ☆166Updated 3 years ago
• smiles724 / Molformer
  ☆94Updated 2 years ago
• longlongman / DESERT
  Zero-Shot 3D Drug Design by Sketching and Generating (NeurIPS 2022)
  ☆33Updated 2 years ago