Alternatives and similar repositories for SwinOCSR

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

• OBrink / RanDepict
  This repository contains RanDepict, an easy-to-use utility to generate a big variety of chemical structure depictions (random depiction s…
  ☆28Updated 2 years ago
• Laboratoire-de-Chemoinformatique / Reaction_Data_Cleaning
  Chemical reaction data cleaning
  ☆30Updated 3 years ago
• MolecularAI / DockStreamCommunity
  ☆26Updated 2 years ago
• deep-scaffold / deep_scaffold
  ☆25Updated 5 years ago
• cadd-synthetic / GASA
  Synthetic Accessible Prediction of Organic Compounds based on Graph Attention Mechanism
  ☆22Updated 2 years ago
• Lleyton-Ariton / molecule-generation
  Molecular SMILE generation with recurrent neural networks
  ☆20Updated 3 months ago
• yanfeiguan / reactivity_predictions_substitution
  Platforms to predict reactivity for substitution reactions.
  ☆20Updated 4 years ago
• illidanlab / MolSearch
  Implementation of MolSearch paper
  ☆22Updated 2 years ago
• wzhstat / Reaction-Condition-Selector
  This repository contains a reaction condition selector.
  ☆10Updated 7 months ago
• Kohulan / OCSR_Review
  This repository contains the information related to the benchmark study on openly available OCSR tools
  ☆40Updated 4 years ago
• giovanni-bolcato / deepFMPOv3D
  Implementation of Shape and Electrostatic similarity metric in deepFMPO.
  ☆45Updated 3 years ago
• sekijima-lab / mermaid
  ☆12Updated 4 years ago
• jidushanbojue / GraphRXN
  GraphRXN
  ☆29Updated 2 years ago
• jkwang93 / ChemistGA
  ☆23Updated 3 years ago
• bigchem / retrosynthesis
  Applying deep neural networks for retrosynthesis tasks
  ☆37Updated 5 years ago
• biomed-AI / DRlinker
  ☆26Updated 2 years ago
• chembl / compound_target_pairs_dataset
  Automatic extraction of interacting compound-target pairs from ChEMBL.
  ☆17Updated 3 weeks ago
• yifang000 / QADD
  De Novo Drug Design by Iterative Multi-Objective Deep Reinforcement Learning with graph-based Molecular Quality Assessment
  ☆14Updated 2 years ago
• BiomedSciAI / r-BRICS
  Revised breaking of retrosynthetically interesting chemical substructures (r-BRICS) – a revised BRICS module based on rdKit that breaks r…
  ☆13Updated 7 months ago
• kotori-y / pySmash
  Smash molecule and obtain significant fragments
  ☆19Updated 4 years ago
• bigginlab / aescore
  Learning Protein-Ligand Properties with Atomic Environment Vectors
  ☆10Updated last year
• nadinulrich / log_P_prediction
  ☆13Updated 4 years ago
• dmw51 / reactiondataextractor2
  This repo contains ReactionDataExtractor v.2 - software toolkit for extraction of information from chemical reaction schemes
  ☆29Updated 2 years ago
• MolecularAI / Lib-INVENT-dataset
  ☆21Updated 2 years ago
• qiangbo1222 / Uni-RXN-official
  ☆28Updated last year
• MolFilterGAN / MolFilterGAN
  ☆15Updated 2 years ago
• moyiming1 / Retrosynthesis-pathway-ranking
  ☆22Updated 4 years ago
• ncats / molvec
  A feeble attempt at molecular recognition (in the literal sense)
  ☆61Updated 10 months ago
• UA-Libraries-Research-Data-Services / CSN_tutorial
  Jupyter Notebook Tutorials for Creating Chemical Space Networks
  ☆37Updated last year
• quantaosun / FEP-Minus
  Academic license pre-required. While FEP Plus charge you 100,000 USD per year. Here comes the FEP-Minus, it is a Schrodinger FEP Plus ide…
  ☆22Updated last year