Alternatives and similar repositories for chemdataextractor

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

• CambridgeMolecularEngineering / tabledataextractor
  Extracts data from tables with complicated structures.
  ☆16Updated 10 months ago
• olsenlabmit / BigSMILES
  An open-source effort towards accessible polymer data
  ☆41Updated 5 years ago
• rxn4chemistry / OpenNMT-py
  RXN fork of OpenNMT-py - Open Source Neural Machine Translation in PyTorch
  ☆26Updated 2 years ago
• mjwen / rxnrep
  Contrastive pretraining to learn chemical reaction representations (RxnRep) for downstream tasks.
  ☆34Updated 3 years ago
• hesther / templatecorr
  Hierarchical template correction for chemical reactions
  ☆20Updated last year
• rxn4chemistry / rxn-chemutils
  Chemistry-related Python utilities used in the RXN universe
  ☆25Updated last year
• NatLabRockies / m2p
  ☆35Updated 6 months ago
• InnocentBug / G-BigSMILES
  Generator of SMILES string from bigSMILES with extension
  ☆33Updated 8 months ago
• lucianlschan / Conformer-Geometry
  ☆12Updated 7 years ago
• ZimmermanGroup / ActiveTransfer
  ☆15Updated 3 years ago
• liyuanhe211 / Chemical_Kinetics_Calculator
  A simple program to solve the Eyring Equation and first/second order kinetics.
  ☆21Updated 7 months ago
• BlueObelisk / chemicaltagger
  ChemicalTagger is a tool for semantic text-mining in chemistry.
  ☆45Updated 3 weeks ago
• NatLabRockies / polyID
  ☆16Updated 3 months ago
• licheng-xu-echo / SPMS
  A Molecular Stereostructure Descriptor based on Spherical Projection
  ☆13Updated 2 months ago
• theochem / gopt
  Python library for optimizing molecular structures and determining chemical reaction pathways.
  ☆17Updated last year
• rxn4chemistry / nmr-to-structure
  Prediction molecular structure from NMR spectra
  ☆38Updated last year
• ShuHuang / chemdatawriter
  ChemDataWriter is a transformer-based library for automatically generating research books in the chemistry area.
  ☆14Updated 2 years ago
• mcsorkun / Conformer-Search
  A simple workflow for minimum energy conformer search based on force field optimization methods (UFF and MMFF94) available from RDKit.
  ☆12Updated 5 years ago
• olivettigroup / table_extractor
  Extracts tables into json format from HTML/XML files
  ☆39Updated 5 years ago
• spiwokv / metadynminer
  Package for reading, analysis and visualization of metadynamics HILLS
  ☆39Updated 2 years ago
• panwarp / PyL3dMD
  PyL3dMD: Python LAMMPS 3D Molecular Descriptors Package
  ☆32Updated last year
• simonmb / fragmentation_algorithm_paper
  Two algorithms to fragment molecules into specified molecular subunits (e.g. functional groups)
  ☆35Updated 3 years ago
• JorenBE / GPT-Challenge
  ☆13Updated last year
• rxn4chemistry / smiles2actions
  Action sequence prediction for arbitrary chemical equations
  ☆26Updated 4 years ago
• gfm-collab / chemprop-IR
  ☆29Updated 4 years ago
• DanielEss-lab / Mason
  Automated Transition States Builder
  ☆11Updated 2 years ago
• edbeard / ChemSchematicResolver
  Python toolkit for resolving chemical schematic diagrams.
  ☆43Updated 5 years ago
• GT4SD / molgx-core
  IBM Molecule Generation Experience (MolGX) is a tool to accelerate an AI-driven design of new materials.
  ☆15Updated 3 years ago
• MoleculeResolver / molecule-resolver
  Automagically resolve the best structure for molecules across several databases from identifiers
  ☆40Updated 2 weeks ago
• NatLabRockies / alfabet
  Machine learning predictions of bond dissociation energy
  ☆67Updated last year