Alternatives and similar repositories for megan

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

• coleygroup / Graph2SMILES
  ☆64Updated 2 years ago
• vsomnath / graphretro
  Learning Graph Models for Retrosynthesis Prediction (NeurIPS 2021)
  ☆57Updated 2 years ago
• bigchem / synthesis
  Contains results and data from Augmented Transformer article
  ☆39Updated 5 years ago
• kaist-amsg / LocalRetro
  Retrosynthesis prediction for organic molecules with LocalRetro
  ☆105Updated last year
• uta-smile / RetroXpert
  ☆65Updated 4 years ago
• BenevolentAI / guacamol_baselines
  Baselines models for GuacaMol benchmarks
  ☆145Updated last year
• undeadpixel / reinvent-scaffold-decorator
  A SMILES-based encoder-decoder architecture for molecular scaffold decoration
  ☆83Updated 5 years ago
• connorcoley / retrosim
  ☆86Updated 7 years ago
• connorcoley / rdchiral
  Wrapper for RDKit's RunReactants to improve stereochemistry handling
  ☆181Updated 2 years ago
• otori-bird / retrosynthesis
  ☆75Updated last year
• Hanjun-Dai / GLN
  Implementation of Retrosynthesis Prediction with Conditional Graph Logic Network
  ☆134Updated 3 years ago
• wenhao-gao / SynNet
  ☆94Updated 3 years ago
• linminhtoo / neuralsym
  Reimplementation of Segler et al's Template Relevance Network (NeuralSym) in their seminal Nature publication
  ☆36Updated 3 years ago
• kaist-amsg / LocalTransform
  Predicting Organic Reactivity with LocalTransform
  ☆50Updated 9 months ago
• molML / MoleculeACE
  A tool for evaluating the predictive performance on activity cliff compounds of machine learning models
  ☆204Updated 11 months ago
• wangyu-sd / RetroExplainer
  RetroExplainer: A chemical knowledge and deep-leaning guided molecular assembly approach for retrosynthesis prediction with quantitative …
  ☆81Updated 2 years ago
• jaechanglim / GGM
  graph generative model for molecule
  ☆40Updated 6 years ago
• MolecularAI / PaRoutes
  Home of the PaRoutes framework for benchmarking multi-step retrosynthesis predictions.
  ☆85Updated last year
• wangxr0526 / RetroPrime
  Code for Single-step Retrosynthesis model Retroprime
  ☆40Updated 4 years ago
• connorcoley / scscore
  ☆110Updated 4 years ago
• yvquanli / GLAM
  Code for "An adaptive graph learning method for automated molecular interactions and properties predictions".
  ☆40Updated 3 years ago
• jkwang93 / MCMG
  MCMG_V1
  ☆76Updated 3 years ago
• bytedance / markov-molecular-sampling
  ☆57Updated 3 years ago
• HyunSeobKim / CHEM-BERT
  pre-training BERT with molecular data
  ☆50Updated 4 years ago
• yuewan2 / Retroformer
  ☆50Updated 3 years ago
• AITRICS / FREED
  Fragment-based generative RL with Explorative Experience replay for Drug design (FREED)
  ☆55Updated 3 years ago
• MolecularAI / pysmilesutils
  Utilities for working with SMILES based encodings of molecules for deep learning (PyTorch oriented)
  ☆83Updated last year
• undeadpixel / reinvent-randomized
  Recurrent Neural Network using randomized SMILES strings to generate molecules
  ☆93Updated 5 years ago
• binghong-ml / retro_star
  Retro*: Learning Retrosynthetic Planning with Neural Guided A* Search
  ☆163Updated 3 years ago
• asarigun / awesome-denovo-papers
  Awesome De novo drugs design papers
  ☆90Updated 2 years ago