Alternatives and similar repositories for GLN:

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

• uta-smile / RetroXpert
  ☆63Updated 3 years ago
• connorcoley / retrosim
  ☆85Updated 6 years ago
• connorcoley / rdchiral
  Wrapper for RDKit's RunReactants to improve stereochemistry handling
  ☆154Updated last year
• binghong-ml / retro_star
  Retro*: Learning Retrosynthetic Planning with Neural Guided A* Search
  ☆139Updated 2 years ago
• wengong-jin / multiobj-rationale
  Multi-Objective Molecule Generation using Interpretable Substructures (ICML 2020)
  ☆145Updated 2 years ago
• BenevolentAI / guacamol_baselines
  Baselines models for GuacaMol benchmarks
  ☆137Updated last year
• otori-bird / retrosynthesis
  ☆68Updated 9 months ago
• bigchem / synthesis
  Contains results and data from Augmented Transformer article
  ☆34Updated 4 years ago
• vsomnath / graphretro
  Learning Graph Models for Retrosynthesis Prediction (NeurIPS 2021)
  ☆48Updated last year
• yuewan2 / Retroformer
  ☆46Updated 2 years ago
• john-bradshaw / molecule-chef
  Code for our paper "A Model to Search for Synthesizable Molecules" (https://arxiv.org/abs/1906.05221)
  ☆77Updated last year
• nyu-dl / dl4chem-mgm
  ☆68Updated 2 years ago
• wengong-jin / nips17-rexgen
  Predicting Organic Reaction Outcomes with Weisfeiler-Lehman Network (NIPS 2017)
  ☆147Updated 6 years ago
• divelab / MoleculeX
  ☆165Updated 2 years ago
• molecule-one / megan
  Code for "Molecule Edit Graph Attention Network: Modeling Chemical Reactions as Sequences of Graph Edits"
  ☆61Updated last year
• MolecularAI / PaRoutes
  Home of the PaRoutes framework for benchmarking multi-step retrosynthesis predictions.
  ☆73Updated 6 months ago
• Rose-STL-Lab / LIMO
  generative model for drug discovery
  ☆59Updated last year
• hwwang55 / MolR
  Chemical-Reaction-Aware Molecule Representation Learning
  ☆76Updated 2 years ago
• divelab / GraphBP
  Official implementation of "Generating 3D Molecules for Target Protein Binding" [ICML2022 Long Presentation]
  ☆106Updated last year
• DirectMolecularConfGen / DMCG
  ☆48Updated 2 years ago
• stan-his / DeepFMPO
  Code accompanying the paper "Deep reinforcement learning for multiparameter optimization in de novo drug design"
  ☆66Updated 3 years ago
• jkwang93 / MCMG
  MCMG_V1
  ☆71Updated 2 years ago
• pandegroup / reaction_prediction_seq2seq
  ☆66Updated 5 years ago
• HelloJocelynLu / t5chem
  Transformer-based model for chemical reactions
  ☆71Updated 2 months ago
• kaist-amsg / LocalTransform
  Predicting Organic Reactivity with LocalTransform
  ☆40Updated 7 months ago
• AITRICS / FREED
  Fragment-based generative RL with Explorative Experience replay for Drug design (FREED)
  ☆52Updated 2 years ago
• wenhao-gao / mol_opt
  ☆193Updated 8 months ago
• coleygroup / Graph2SMILES
  ☆53Updated last year
• calvin-zcx / moflow
  MoFlow: an invertible flow model for generating molecular graphs
  ☆132Updated last year
• learningmatter-mit / geom
  GEOM: Energy-annotated molecular conformations
  ☆213Updated 2 years ago