Alternatives and similar repositories for rxn-reaction-preprocessing

Users that are interested in rxn-reaction-preprocessing are comparing it to the libraries listed below

• rxn4chemistry / disconnection_aware_retrosynthesis
  ☆30Updated 2 years ago
• rxn4chemistry / rxn-chemutils
  Chemistry-related Python utilities used in the RXN universe
  ☆25Updated last year
• rxn4chemistry / smiles2actions
  Action sequence prediction for arbitrary chemical equations
  ☆26Updated 4 years ago
• Laboratoire-de-Chemoinformatique / Reaction_Data_Cleaning
  Chemical reaction data cleaning
  ☆30Updated 3 years ago
• reymond-group / drfp
  An NLP-inspired chemical reaction fingerprint based on basic set arithmetic.
  ☆70Updated 2 months ago
• schwallergroup / fsscore
  ☆20Updated last year
• hesther / templatecorr
  Hierarchical template correction for chemical reactions
  ☆15Updated last year
• Academich / reagents
  Reagent prediction with Molecular Transformer. Improvement of data for reaction product prediction in a self-supervised fashion.
  ☆27Updated 10 months ago
• reymond-group / CASP-and-dataset-performance
  Source code and documentation of a computer assisted synthesis planning (CASP) tool used for the analysis of reaction datasets.
  ☆47Updated 4 years ago
• swansonk14 / chemfunc
  Useful functions for working with small molecules
  ☆53Updated 7 months ago
• ZimmermanGroup / ActiveTransfer
  ☆14Updated 3 years ago
• MolecularAI / SMILES-RL
  ☆19Updated 3 months ago
• schwallergroup / saturn
  Sample-efficient Generative Molecular Design using Memory Manipulation
  ☆60Updated 2 months ago
• aivant / ShapeLinker
  ☆23Updated last year
• jidushanbojue / GraphRXN
  GraphRXN
  ☆29Updated 2 years ago
• chython / chython
  Library for processing molecules and reactions in python way
  ☆44Updated this week
• rxn4chemistry / nmr-to-structure
  Prediction molecular structure from NMR spectra
  ☆34Updated last year
• cadd-synthetic / GASA
  Synthetic Accessible Prediction of Organic Compounds based on Graph Attention Mechanism
  ☆22Updated last year
• MolecularAI / reaction-graph-link-prediction
  ☆15Updated 10 months ago
• rxn4chemistry / OpenNMT-py
  RXN fork of OpenNMT-py - Open Source Neural Machine Translation in PyTorch
  ☆26Updated last year
• cimm-kzn / CGRtools
  CGRs, molecules and reactions manipulation
  ☆48Updated 2 years ago
• thatchemistryguy / PyParse
  Automated analysis of LCMS data for high throughput chemistry experiments
  ☆21Updated this week
• rdkit / PREFER
  ☆28Updated 2 years ago
• wenhao-gao / SynNet
  ☆91Updated 2 years ago
• lich-uct / syba
  Synthetic Bayesian Classification
  ☆45Updated 4 years ago
• rxn4chemistry / rxnaamapper
  Reaction SMILES-AA mapping via language modelling
  ☆29Updated 11 months ago
• coleygroup / DiffMS
  ☆83Updated last month
• nobiastx / diffusion-conformer
  Diffusion-based molecule conformer generation
  ☆41Updated last year
• coleygroup / pyscreener
  pythonic interface to virtual screening software
  ☆89Updated 2 years ago
• ncats / ncats-adme
  The source code for ADME@NCATS application that hosts prediction models for ADME properties. Link to application: https://opendata.ncats.…
  ☆38Updated 2 weeks ago