Alternatives and similar repositories for retro_star:

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

• Hanjun-Dai / GLN
  Implementation of Retrosynthesis Prediction with Conditional Graph Logic Network
  ☆123Updated 2 years ago
• wenhao-gao / mol_opt
  ☆203Updated 11 months ago
• BenevolentAI / guacamol_baselines
  Baselines models for GuacaMol benchmarks
  ☆138Updated last year
• connorcoley / rdchiral
  Wrapper for RDKit's RunReactants to improve stereochemistry handling
  ☆158Updated last year
• otori-bird / retrosynthesis
  ☆69Updated 11 months ago
• MolecularAI / PaRoutes
  Home of the PaRoutes framework for benchmarking multi-step retrosynthesis predictions.
  ☆72Updated 9 months ago
• divelab / GraphBP
  Official implementation of "Generating 3D Molecules for Target Protein Binding" [ICML2022 Long Presentation]
  ☆108Updated last year
• wengong-jin / multiobj-rationale
  Multi-Objective Molecule Generation using Interpretable Substructures (ICML 2020)
  ☆150Updated 2 years ago
• coleygroup / Graph2SMILES
  ☆55Updated last year
• uta-smile / RetroXpert
  ☆65Updated 3 years ago
• bigchem / synthesis
  Contains results and data from Augmented Transformer article
  ☆38Updated 4 years ago
• kaist-amsg / LocalRetro
  Retrosynthesis prediction for organic molecules with LocalRetro
  ☆94Updated 11 months ago
• connorcoley / retrosim
  ☆84Updated 7 years ago
• Rose-STL-Lab / LIMO
  generative model for drug discovery
  ☆59Updated last year
• AITRICS / FREED
  Fragment-based generative RL with Explorative Experience replay for Drug design (FREED)
  ☆53Updated 3 years ago
• molecule-one / megan
  Code for "Molecule Edit Graph Attention Network: Modeling Chemical Reactions as Sequences of Graph Edits"
  ☆61Updated 2 years ago
• learningmatter-mit / geom
  GEOM: Energy-annotated molecular conformations
  ☆221Updated 3 years ago
• jkwang93 / MCMG
  MCMG_V1
  ☆72Updated 2 years ago
• oxpig / DeLinker
  ☆125Updated 2 years ago
• pengxingang / Pocket2Mol
  Pocket2Mol: Efficient Molecular Sampling Based on 3D Protein Pockets
  ☆300Updated last year
• devalab / molgpt
  ☆150Updated last year
• aspuru-guzik-group / stoned-selfies
  This repository contains code for the paper: Beyond Generative Models: Superfast Traversal, Optimization, Novelty, Exploration and Discov…
  ☆125Updated 8 months ago
• luost26 / 3D-Generative-SBDD
  💊 A 3D Generative Model for Structure-Based Drug Design (NeurIPS 2021)
  ☆189Updated 2 years ago
• MolecularAI / Chemformer
  ☆240Updated last month
• nyu-dl / dl4chem-mgm
  ☆68Updated 2 years ago
• yuewan2 / Retroformer
  ☆46Updated 2 years ago
• kaist-amsg / LocalTransform
  Predicting Organic Reactivity with LocalTransform
  ☆45Updated last month
• bytedance / markov-molecular-sampling
  ☆53Updated 3 years ago
• asarigun / awesome-denovo-papers
  Awesome De novo drugs design papers
  ☆87Updated last year
• DiXue98 / PDVN
  The official code for PDVN: Retrosynthetic Planning with Dual Value Networks (ICML 2023)
  ☆24Updated last year