Alternatives and similar repositories for ChatChemTS

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

• john-bradshaw / rxn-lm
  Code for training a language model reaction predictor. (To accompany our paper on the OOD evaluation of reaction predictors).
  ☆12Updated last year
• Hyunseung-Kim / molGCT
  ☆26Updated 2 years ago
• THGLab / SynLlama
  Code Space of SynLlama
  ☆42Updated last month
• schwallergroup / steer
  ☆42Updated 2 months ago
• snu-lcbc / atom-in-SMILES
  Atom-in-SMILES tokenizer for SMILES strings.
  ☆42Updated last year
• lich-uct / syba
  Synthetic Bayesian Classification
  ☆48Updated 5 years ago
• ohuelab / MMGX
  MMGX: Multiple Molecular Graph eXplainable Discovery
  ☆22Updated 3 weeks ago
• toshikiochiai / NPVAE
  ☆28Updated 2 years ago
• nobiastx / diffusion-conformer
  Diffusion-based molecule conformer generation
  ☆45Updated last year
• aivant / ShapeLinker
  ☆25Updated last month
• MolecularAI / reinvent-hitl
  Code for paper "Human-in-the-Loop Assisted de Novo Molecular Design".
  ☆24Updated 2 years ago
• ml-jku / MHNfs
  ☆20Updated last year
• NVlabs / f-RAG
  Official code repository for the paper Molecule Generation with Fragment Retrieval Augmentation (NeurIPS 2024)
  ☆25Updated 9 months ago
• rxn4chemistry / disconnection_aware_retrosynthesis
  ☆31Updated 3 years ago
• oxpig / ChemIQ
  ☆35Updated 6 months ago
• sekijima-lab / TRACER
  ☆14Updated 7 months ago
• DrugAI / ACNet
  ☆17Updated 3 years ago
• prescient-design / StrainRelief
  ☆29Updated 2 weeks ago
• schwallergroup / saturn
  Sample-efficient Generative Molecular Design using Memory Manipulation
  ☆70Updated 7 months ago
• Fraunhofer-SCAI / llamol
  Offical repository for the paper "Llamol: a dynamic multi-conditional generative transformer for de novo molecular design" (https://doi.o…
  ☆30Updated last year
• meilerlab / MolKGNN
  MolKGNN is a deep learning model for predicting biological activity or molecular properties. It features in 1. SE(3)-invariance 2. confor…
  ☆20Updated 2 years ago
• MolecularAI / aizynthtrain
  Tools to train synthesis prediction models
  ☆29Updated last year
• Lleyton-Ariton / molecule-generation
  Molecular SMILE generation with recurrent neural networks
  ☆21Updated 6 months ago
• seokhokang / reaction_yield_nn
  Uncertainty-aware prediction of chemical reaction yields with graph neural networks
  ☆25Updated last year
• Coughy1991 / Reaction_condition_recommendation
  Code for training machine learning model for reaction condition prediction
  ☆47Updated 5 years ago
• Jonas-Verhellen / MolecularGraphPareto
  ☆16Updated 2 years ago
• LindeSchoenmaker / SMILES-corrector
  ☆29Updated 2 weeks ago
• molML / traversing_chem_space
  Small molecules discovery with different active deep learning strategies. Codebase for the paper: "Traversing chemical space with active …
  ☆28Updated last year
• gscalia / chemprop
  Message Passing Neural Networks for Molecule Property Prediction
  ☆11Updated 6 years ago
• Genentech / ringer
  RINGER: Rapid Conformer Generation for Macrocycles with Sequence-Conditioned Internal Coordinate Diffusion
  ☆21Updated last year