Alternatives and similar repositories for ChemDataExtractor

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

• mcs07 / PubChemPy
  Python wrapper for the PubChem PUG REST API.
  ☆474Updated 3 months ago
• CambridgeMolecularEngineering / chemdataextractor2
  ChemDataExtractor Version 2.0
  ☆179Updated 8 months ago
• olivettigroup / article-downloader
  Uses publisher APIs to programmatically retrieve scientific journal articles for text mining.
  ☆135Updated last year
• lukasturcani / stk
  A Python library which allows construction and manipulation of complex molecules, as well as automatic molecular design and the creation …
  ☆277Updated this week
• hachmannlab / chemml
  ChemML is a machine learning and informatics program suite for the chemical and materials sciences.
  ☆171Updated this week
• open-reaction-database / ord-data
  Official data repository for the Open Reaction Database
  ☆306Updated 4 months ago
• rxn4chemistry / rxn4chemistry
  Python wrapper for the IBM RXN for Chemistry API
  ☆228Updated last week
• mcs07 / ChemSpiPy
  Python wrapper for the ChemSpider API
  ☆120Updated 7 years ago
• rdkit / rdkit-tutorials
  Tutorials to learn how to work with the RDKit
  ☆302Updated 2 years ago
• dan2097 / opsin
  Open Parser for Systematic IUPAC Nomenclature. Chemical name to structure conversion
  ☆190Updated 2 weeks ago
• kjappelbaum / awesome-chemistry-datasets
  overview of datasets for ML in chemistry
  ☆371Updated last month
• mcs07 / CIRpy
  Python wrapper for the NCI Chemical Identifier Resolver (CIR)
  ☆129Updated last year
• samoturk / mol2vec
  Mol2vec - an unsupervised machine learning approach to learn vector representations of molecular substructures
  ☆281Updated 3 years ago
• mcs07 / MolVS
  Molecule Validation and Standardization
  ☆176Updated 5 years ago
• cbouy / mols2grid
  Interactive molecule viewer for 2D structures
  ☆230Updated last week
• datamol-io / datamol
  Molecular Processing Made Easy.
  ☆519Updated last year
• openforcefield / openff-toolkit
  The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation avai…
  ☆371Updated last week
• Kohulan / DECIMER-Image_Transformer
  DECIMER Image Transformer is a deep-learning-based tool designed for automated recognition of chemical structure images. Leveraging trans…
  ☆306Updated last week
• mdtraj / mdtraj
  An open library for the analysis of molecular dynamics trajectories
  ☆676Updated last week
• CederGroupHub / text-mined-synthesis_public
  Codes for text-mined solid-state reactions dataset
  ☆84Updated 2 years ago
• materialsintelligence / matscholar
  Code to access the Matscholar public API.
  ☆67Updated 4 years ago
• rxn4chemistry / rxnfp
  Reaction fingerprints, atlases and classification. Code complementing our Nature Machine Intelligence publication on "Mapping the space o…
  ☆195Updated 4 years ago
• dan2097 / patent-reaction-extraction
  Text mining of chemical reactions
  ☆111Updated last year
• epam / Indigo
  Universal cheminformatics toolkit, utilities and database search tools
  ☆365Updated this week
• jiangfeng1124 / ChemRxnExtractor
  Toolkit for Chemical Reaction Extraction from Scientific Literature (JCIM 2021)
  ☆77Updated 3 years ago
• isayev / ASE_ANI
  ANI-1 neural net potential with python interface (ASE)
  ☆225Updated last year
• wjm41 / molplotly
  add-on to plotly which show molecule images on mouseover!
  ☆258Updated last year
• choderalab / openmmtools
  A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine.
  ☆305Updated 2 months ago
• ur-whitelab / exmol
  Explainer for black box models that predict molecule properties
  ☆343Updated 7 months ago
• jparkhill / TensorMol
  Tensorflow + Molecules = TensorMol
  ☆275Updated 4 years ago