Alternatives and similar repositories for TRACER

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

• JanoschMenke / metis
  Python-based GUI to collect Feedback of Chemist in Molecules
  ☆52Updated 11 months ago
• adalke / mmpdb
  A package to identify matched molecular pairs and use them to predict property changes.
  ☆24Updated last year
• lich-uct / syba
  Synthetic Bayesian Classification
  ☆47Updated 4 years ago
• nobiastx / diffusion-conformer
  Diffusion-based molecule conformer generation
  ☆41Updated last year
• osmoai / osmordred
  Mordred port in cpp
  ☆50Updated 6 months ago
• mqcomplab / iSIM
  Module containing scripts to perform multiple comparison simultaneously and getting the exact same value as the average pairwise comparis…
  ☆52Updated 3 months ago
• grzsko / ASAP
  ☆15Updated 2 years ago
• Academich / reagents
  Reagent prediction with Molecular Transformer. Improvement of data for reaction product prediction in a self-supervised fashion.
  ☆27Updated 11 months ago
• schwallergroup / augmented_memory
  Augmented Memory and Beam Enumeration implementation
  ☆25Updated last year
• rdkit / PREFER
  ☆28Updated 2 years ago
• UnixJunkie / dimorphite_dl
  Mirror of https://git.durrantlab.pitt.edu/jdurrant/dimorphite_dl/
  ☆18Updated 2 years ago
• snu-micc / BR-SAScore
  Building-block and reaction-aware SAScore
  ☆15Updated 6 months ago
• NoahHenrikKleinschmidt / buildamol
  A fragment-based molecular assembly toolkit
  ☆38Updated last month
• n-yoshikawa / retrosynthesis_bot
  Twitter retrosynthesis bot
  ☆13Updated 3 years ago
• reymond-group / drfp
  An NLP-inspired chemical reaction fingerprint based on basic set arithmetic.
  ☆70Updated 3 months ago
• ghiander / novana
  Cheminformatics tool that extends the decomposition of molecules into Bemis-Murcko frameworks.
  ☆52Updated 6 months ago
• JacksonBurns / fastprop
  Fast Molecular Property Prediction with mordredcommunity
  ☆50Updated last week
• Carlssonlab / conformalpredictor
  Machine learning accelerated docking screens
  ☆58Updated 8 months ago
• coleygroup / sparrow
  ☆55Updated 2 months ago
• JacksonBurns / fastsolv
  fastsolv python package, website, and paper code
  ☆34Updated 3 weeks ago
• isayevlab / LoQI
  LoQI: Low Energy QM Informed Conformer Generation
  ☆38Updated last month
• mrodobbe / Rxn-INSIGHT
  Analyzing chemical databases and predicting reaction conditions with cheminformatics
  ☆43Updated last month
• asapdiscovery / asapdiscovery
  Toolkit for open antiviral drug discovery by the ASAP Discovery Consortium
  ☆42Updated this week
• wolberlab / dynophores
  Dynamic pharmacophore modeling of molecular interactions
  ☆35Updated last year
• molecule-generator-collection / ChemTSv2
  Refined and extended version of ChemTS
  ☆113Updated last month
• toshikiochiai / NPVAE
  ☆26Updated last year
• Laboratoire-de-Chemoinformatique / SynPlanner
  Computer-aided synthesis planning
  ☆34Updated this week
• MolecularAI / aizynthtrain
  Tools to train synthesis prediction models
  ☆27Updated last year
• RPirie96 / RGMolSA
  ☆35Updated last year
• mqcomplab / bblean
  BitBIRCH-Lean, a memory-efficient implementation of BitBIRCH designed for high-thorouput clustering of huge molecular libraries (up to hu…
  ☆20Updated this week