Alternatives and similar repositories for ChatChemTS

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

• toshikiochiai / NPVAE
  ☆26Updated last year
• lich-uct / syba
  Synthetic Bayesian Classification
  ☆47Updated 4 years ago
• MolecularAI / reinvent-hitl
  Code for paper "Human-in-the-Loop Assisted de Novo Molecular Design".
  ☆22Updated 2 years ago
• oxpig / ChemIQ
  ☆28Updated 2 months ago
• schwallergroup / steer
  ☆39Updated last month
• gscalia / chemprop
  Message Passing Neural Networks for Molecule Property Prediction
  ☆11Updated 5 years ago
• prescient-design / StrainRelief
  ☆22Updated this week
• ohuelab / MMGX
  MMGX: Multiple Molecular Graph eXplainable Discovery
  ☆19Updated 3 months ago
• sekijima-lab / TRACER
  ☆14Updated 2 months ago
• schwallergroup / saturn
  Sample-efficient Generative Molecular Design using Memory Manipulation
  ☆60Updated 3 months ago
• snu-lcbc / atom-in-SMILES
  Atom-in-SMILES tokenizer for SMILES strings.
  ☆40Updated last year
• nobiastx / diffusion-conformer
  Diffusion-based molecule conformer generation
  ☆41Updated last year
• molML / traversing_chem_space
  ☆27Updated last year
• Jonas-Verhellen / MolecularGraphPareto
  ☆16Updated last year
• cbi-society / cheminfotutorial1023
  material for cheminfo tutorial
  ☆12Updated last year
• keiserlab / autoparty
  ML-guided visual inspection for molecular docking
  ☆20Updated 3 months ago
• PaccMann / chemical_representation_learning_for_toxicity_prediction
  Chemical representation learning paper in Digital Discovery
  ☆61Updated last year
• Hyunseung-Kim / molGCT
  ☆26Updated last year
• Augmented-Nature / ChEMBL-MCP-Server
  A comprehensive Model Context Protocol (MCP) server providing advanced access to the ChEMBL chemical database.
  ☆65Updated 2 months ago
• chuiyang / atom-based_uncertainty_model
  ☆12Updated 11 months ago
• rdkit / PREFER
  ☆28Updated 2 years ago
• THGLab / SynLlama
  Code Space of SynLlama
  ☆22Updated 3 months ago
• volkamerlab / maxsmi
  maxsmi: a guide to SMILES augmentation. Find the optimal SMILES augmentation for accurate molecular prediction.
  ☆34Updated last year
• ycu-iil / DyRAMO
  DyRAMO: Dynamic Reliability Adjustment for Multi-objective Optimization
  ☆11Updated 6 months ago
• aivant / ShapeLinker
  ☆23Updated last year
• gmum / ChiENN
  ☆17Updated last year
• RekerLab / DeepDelta
  DeepDelta is a pairwise deep learning approach based on Chemprop that processes two molecules simultaneously and learns to predict proper…
  ☆46Updated last year
• keiserlab / autofragdiff
  Autoregressive fragment-based diffusion for target-aware ligand design
  ☆29Updated last year
• Academich / reagents
  Reagent prediction with Molecular Transformer. Improvement of data for reaction product prediction in a self-supervised fashion.
  ☆27Updated 11 months ago
• chemprop / chemprop_benchmark
  Chemprop benchmarking scripts and data for v1
  ☆28Updated last year