Alternatives and similar repositories for ftir_data_analytics

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

• neo-chem / awesome-chemical-data
  Curated list of known efforts in collecting and/or curating of chemical/materials data
  ☆21Updated 4 years ago
• qcdb / qcdb
  quantum chemistry common driver and databases
  ☆17Updated 2 years ago
• AstraZeneca / hsqc_structure_elucidation
  Implementation of the SGNN graph neural network for 1H and 13C NMR prediction and a tool for distinguishing different molecules based on …
  ☆15Updated last year
• learningmatter-mit / GLAMOUR
  Graph Learning over Macromolecule Representations
  ☆23Updated 2 years ago
• hjkgrp / text_mining_tools
  Tools to facilitate NLP of scientific literature
  ☆16Updated 3 years ago
• eljost / thermoanalysis
  Stand-alone thermochemistry in python for ORCA and Gaussian.
  ☆32Updated 8 months ago
• qcscine / puffin
  ☆12Updated 10 months ago
• mychem / mychem-code
  Mychem is an extension for MySQL that makes possible to use cheminformatics functions within SQL queries.
  ☆21Updated last month
• JelfsMaterialsGroup / stko
  A collection of molecular optimisers and property calculators for use with stk.
  ☆24Updated 2 months ago
• duartegroup / molfunc
  fast functionalisation of molecules
  ☆37Updated 3 years ago
• SGenheden / Seminario
  Tool to compute bond and angle force field parameters with the Seminario method
  ☆13Updated 7 years ago
• anooplab / pyar
  Python program for aggregation and reaction
  ☆21Updated 9 months ago
• molmod / tamkin
  TAMkin is a post-processing toolkit for thermochemistry and kinetics analysis.
  ☆23Updated last year
• OpenChemistry / avogenerators
  Python input file generators for Avogadro 2
  ☆14Updated 5 months ago
• lukasturcani / moldoc
  Make better chemistry documentation!
  ☆15Updated 7 months ago
• mlederbauer / glossagen
  RunAI&KG prize winner of the 2024 LLM hackathon in materials and chemistry. Create a glossary out of your manuscript in materials and che…
  ☆11Updated last year
• corinwagen / pymsym
  molecular point group symmetry lib
  ☆11Updated 7 months ago
• nlesc-nano / CAT
  A collection of tools designed for the automatic construction, and subsequent analysis, of chemical compounds.
  ☆20Updated last month
• theochem / gopt
  Python library for optimizing molecular structures and determining chemical reaction pathways.
  ☆17Updated last year
• lamalab-org / matextract-book
  ☆42Updated 2 weeks ago
• fhvermei / SolProp_ML
  ☆20Updated 2 years ago
• dkoes / MD2NMR
  NMR Chemical Shifts from Molecular Dynamics Simulation
  ☆13Updated 3 years ago
• Reaction-Space-Explorer / reac-space-exp
  A python implementation of open-source packages to explore the chemical reaction space associated with elementary prebiotic chemistry.
  ☆11Updated last year
• aspuru-guzik-group / Beyond-Molecular-Structure-ML-for-OPV-Materials-Devices
  ☆14Updated last year
• geem-lab / orcinus
  🧰 A simple yet precise graphical user interface for making inputs for the ORCA quantum chemistry package
  ☆8Updated 3 years ago
• AspirinCode / awesome-ChemicalSpectraAI
  AI for Chemical Spectra
  ☆11Updated 7 months ago
• materials-data-facility / llm-hackathon
  ☆9Updated last year
• Molsim-Group / MOFtextminer
  Text mining synthesis information in metal organic framework
  ☆13Updated 3 years ago
• dsvatunek / autoDIAS
  autoDIAS: a python tool for an automated Distortion/Interaction Activation Strain Analysis
  ☆17Updated 3 years ago
• croningp / electrondensity2
  ☆11Updated 9 months ago