Alternatives and similar repositories for ChemLit-QA:

Users that are interested in ChemLit-QA are comparing it to the libraries listed below

• O-Schilter / Clipboard-to-SMILES-Converter
  Converts clipboard content to smiles and much more
  ☆59Updated 9 months ago
• JacksonBurns / py2opsin
  Simple Python interface to OPSIN: Open Parser for Systematic IUPAC nomenclature
  ☆48Updated 2 months ago
• Academich / reagents
  Reagent prediction with Molecular Transformer. Improvement of data for reaction product prediction in a self-supervised fashion.
  ☆24Updated 5 months ago
• snu-micc / BR-SAScore
  Building-block and reaction-aware SAScore
  ☆13Updated 3 weeks ago
• CrystalEye42 / OpenChemIE
  ☆67Updated 8 months ago
• rxn4chemistry / rxn-chemutils
  Chemistry-related Python utilities used in the RXN universe
  ☆24Updated 8 months ago
• iribirii / icons-for-chemists
  ☆13Updated last year
• ghiander / novana
  Novana is a cheminformatics tool that extends the decomposition of molecules into Bemis-Murcko frameworks.
  ☆51Updated 2 weeks ago
• JanoschMenke / metis
  Python-based GUI to collect Feedback of Chemist in Molecules
  ☆48Updated 5 months ago
• MolecularAI / reaction_utils
  Utilities for working with datasets of chemical reactions, reaction templates and template extraction.
  ☆71Updated 3 months ago
• luost26 / ChemProjector
  Projecting Molecules into Synthesizable Chemical Spaces (ICML 2024)
  ☆38Updated 3 weeks ago
• mrodobbe / Rxn-INSIGHT
  Analyzing chemical databases and predicting reaction conditions with cheminformatics
  ☆31Updated last week
• chython / chython
  Library for processing molecules and reactions in python way
  ☆42Updated last month
• coleygroup / sparrow
  ☆46Updated 2 weeks ago
• reymond-group / drfp
  An NLP-inspired chemical reaction fingerprint based on basic set arithmetic.
  ☆64Updated 3 weeks ago
• qai222 / LLM_organic_synthesis
  ☆25Updated 10 months ago
• lamalab-org / MoleculeBind
  MoleculeBind is a machine-learning framework for chemistry, where we target unifying various molecular representations into one common la…
  ☆17Updated this week
• snu-micc / LocalMapper
  Precise reaction atom-to-atom mapping with LocalMapper
  ☆33Updated 10 months ago
• Aouidate / Chemoinformatics-compiliation
  In the current repository, I will try to compile the sources of Cheminformatics that can be helpful for anyone that needs them
  ☆29Updated last month
• osmoai / osmordred
  Mordred port in cpp
  ☆42Updated last month
• hutchisonlab / QupKake
  Machine Learning model for molecular micro-pKa prediction
  ☆41Updated 6 months ago
• schwallergroup / augmented_memory
  Augmented Memory and Beam Enumeration implementation
  ☆23Updated 9 months ago
• adalke / mmpdb
  A package to identify matched molecular pairs and use them to predict property changes.
  ☆24Updated 10 months ago
• alexarnimueller / surf
  Simple User-Friendly Reaction Format
  ☆17Updated 5 months ago
• schwallergroup / minerva
  ☆11Updated 6 months ago
• Laboratoire-de-Chemoinformatique / Reaction_Data_Cleaning
  Chemical reaction data cleaning
  ☆30Updated 2 years ago
• nobiastx / diffusion-conformer
  Diffusion-based molecule conformer generation
  ☆39Updated 11 months ago
• rdkit / UGM_2024
  13th RDKit UGM. 11-13 September in Zurich, Switzerland
  ☆25Updated 4 months ago
• MorganCThomas / SMILES-RNN
  Repository for SMILES-based RNNs for reinforcement learning-based de novo molecule generation
  ☆49Updated 2 weeks ago
• HoffOskar / ML_From_Scratch
  Creating machine learning algorithms from scratch
  ☆18Updated 2 weeks ago