Alternatives and similar repositories for SwinOCSR

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

• spacemanidol / Image2Smiles
  Given an image of a molecule create a smiles or mol represenatation.
  ☆26Updated 4 years ago
• MolecularAI / DockStreamCommunity
  ☆26Updated 2 years ago
• chembl / compound_target_pairs_dataset
  Automatic extraction of interacting compound-target pairs from ChEMBL.
  ☆17Updated 3 months ago
• jkwang93 / ChemistGA
  ☆23Updated 3 years ago
• deep-scaffold / deep_scaffold
  ☆25Updated 5 years ago
• OBrink / RanDepict
  This repository contains RanDepict, an easy-to-use utility to generate a big variety of chemical structure depictions (random depiction s…
  ☆28Updated last year
• Kohulan / OCSR_Review
  This repository contains the information related to the benchmark study on openly available OCSR tools
  ☆39Updated 4 years ago
• yydiao1025 / MacFrag
  ☆27Updated 2 years ago
• yifang000 / QADD
  De Novo Drug Design by Iterative Multi-Objective Deep Reinforcement Learning with graph-based Molecular Quality Assessment
  ☆14Updated 2 years ago
• sekijima-lab / mermaid
  ☆12Updated 3 years ago
• giovanni-bolcato / deepFMPOv3D
  Implementation of Shape and Electrostatic similarity metric in deepFMPO.
  ☆45Updated 3 years ago
• oxpig / DEVELOP
  ☆55Updated last year
• batistagroup / DirectMultiStep
  DirectMultiStep: Direct Route Generation for Multistep Retrosynthesis
  ☆23Updated last week
• duaibeom-zz / MolFinder
  ☆17Updated 4 years ago
• illidanlab / MolSearch
  Implementation of MolSearch paper
  ☆22Updated 2 years ago
• syntelly / img2smiles_generator
  Img2SMILES generator
  ☆23Updated 4 years ago
• BiomedSciAI / r-BRICS
  Revised breaking of retrosynthetically interesting chemical substructures (r-BRICS) – a revised BRICS module based on rdKit that breaks r…
  ☆11Updated 6 months ago
• oxpig / DeepCoy
  ☆34Updated last year
• Laboratoire-de-Chemoinformatique / Reaction_Data_Cleaning
  Chemical reaction data cleaning
  ☆30Updated 3 years ago
• jidushanbojue / GraphRXN
  GraphRXN
  ☆29Updated 2 years ago
• Ozymandias314 / MolDetect
  A Sequence Generation Model for Reaction Diagram Parsing
  ☆25Updated 2 months ago
• quantaosun / NAMD-FEP
  Cloud GPU supported NAMD3-based binding free energy difference between two small molecules against the same protein target. This is prob…
  ☆26Updated 2 years ago
• PatWalters / fragment_expansion
  Software tools for fragment-based drug discovery (FBDD)
  ☆27Updated 5 years ago
• hnlab / BindingNet
  ☆25Updated last year
• TieuLongPhan / SynTemp
  Graph based Reaction Template Extraction
  ☆33Updated 2 months ago
• mathcom / COMA
  COMA: Efficient Structure-constrained Molecular Generation using Contractive and Margin losses
  ☆18Updated last year
• MolecularAI / Lib-INVENT-dataset
  ☆20Updated 2 years ago
• 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
• yanfeiguan / reactivity_predictions_substitution
  Platforms to predict reactivity for substitution reactions.
  ☆20Updated 4 years ago
• nadinulrich / log_P_prediction
  ☆13Updated 4 years ago