Alternatives and similar repositories for spectrafit

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

• pyiron / pyiron_base
  Core components of the pyiron integrated development environment (IDE) for computational materials science
  ☆21Updated last week
• lmmentel / chemtools
  Python tools for quantum chemical calculations
  ☆17Updated last year
• geem-lab / pnictogen
  ⚛️ A Python library and a command-line tool that creates input files for computational chemistry packages
  ☆17Updated 5 years ago
• diffpy / pyobjcryst
  Python bindings to ObjCryst++ Object-Oriented Crystallographic Library
  ☆17Updated 7 months ago
• osscar-org / jupyterlab-mol-visualizer
  A JupyterLab launcher extension to view the molecular orbitals.
  ☆18Updated 8 months ago
• jevandezande / spectra
  A package for plotting and manipulating 1D spectra
  ☆11Updated 10 months ago
• zincware / IPSuite
  Machine Learned Interatomic Potential Tools
  ☆23Updated this week
• kthpanor / vlxman
  ☆15Updated last week
• molsturm / molsturm
  A modular electronic structure theory code
  ☆21Updated 6 years ago
• KazMorita / polyhedron_distortion
  ☆11Updated last year
• susilehtola / HelFEM
  Finite element methods for electronic structure calculations on small systems
  ☆38Updated last month
• hackingmaterials / rocketsled
  plug-n-play black box optimizer for high-throughput computing
  ☆50Updated 2 years ago
• WMD-group / StarryNight
  Monte Carlo codes to simulate polar domains in hybrid perovskite solar cells
  ☆16Updated 6 years ago
• jjgoings / chem_interp
  use interpretable machine learning to explain chemical reactions
  ☆13Updated 3 years ago
• pyscf / properties
  Molecular and crystal electromagnetic properties
  ☆19Updated last month
• LLNL / inq
  This is a mirror. Please check our main website on gitlab.
  ☆29Updated 3 weeks ago
• twoXes / awesome-quantum-chemistry
  Quantum Chemistry is awesome. Throw your textbook in the garbage, light the garbage can on fire, and blend the ashes into your cold brew …
  ☆20Updated 2 years ago
• pernalk / GAMMCOR
  gammcor code
  ☆11Updated 3 months ago
• a-ws-m / unlockNN
  A Python package for adding uncertainties to neural network models of chemical systems.
  ☆26Updated 2 years ago
• 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
• atomisticnet / xas-tools
  Tools related to X-ray absorption spectroscopy (XAS)
  ☆19Updated 11 months ago
• OpenChemistry / avogenerators
  Python input file generators for Avogadro 2
  ☆13Updated 4 months ago
• pyiron / pysqa
  Simple HPC queuing system adapter for Python on based jinja templates to automate the submission script creation.
  ☆27Updated last week
• digital-chemistry-laboratory / coulson
  Python code for Hückel and Pariser-Parr-Pople molecular orbital theory
  ☆15Updated 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
• chrisjsewell / ase-notebook
  Highly configurable 2D (SVG) & 3D (threejs) visualisations for ASE/Pymatgen structures, within the Jupyter Notebook.
  ☆32Updated 2 years ago
• grimme-lab / multicharge
  Electronegativity equilibration model for atomic partial charges
  ☆18Updated last month
• LaurentRDC / crystals
  Data structures, algorithms, and parsing for crystallography
  ☆49Updated 4 months ago
• mpds-io / mpds-api
  Tutorials, notebooks, issue tracker, and website on the MPDS API: the data retrieval interface for the Materials Platform for Data Scienc…
  ☆27Updated last week