Alternatives and similar repositories for mapidoc

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

• materialsproject / workshop
  The Materials Project Workshop Curriculum
  ☆116Updated 2 years ago
• materialsvirtuallab / pymatgen-analysis-diffusion
  This add-on to pymatgen provides tools for analyzing diffusion in materials.
  ☆127Updated last month
• Tomoki-YAMASHITA / CrySPY
  CrySPY is a crystal structure prediction tool written in Python.
  ☆140Updated this week
• abelcarreras / DynaPhoPy
  Phonon anharmonicity analysis from molecular dynamics
  ☆133Updated last week
• SMTG-Bham / sumo
  Heavyweight plotting tools for ab initio calculations
  ☆231Updated 5 months ago
• WMD-group / hybrid-perovskites
  DFT optimised crystal structures of inorganic and hybrid halide perovskites
  ☆103Updated 6 years ago
• SMTG-Bham / ShakeNBreak
  Defect structure-searching employing chemically-guided bond distortions
  ☆106Updated last month
• msg-byu / enumlib
  Derivative structure enumeration library
  ☆78Updated 10 months ago
• henniggroup / VASPsol
  Solvation model for the plane wave DFT code VASP.
  ☆162Updated last week
• MaterSim / PyXtal_FF
  Machine Learning Interatomic Potential Predictions
  ☆93Updated last year
• henniggroup / MPInterfaces
  Python package that enables high throughput analysis of interfaces(two dimensional materials, hetero-structures, nanoparticles with and w…
  ☆76Updated last year
• materialsvirtuallab / mlearn
  Benchmark Suite for Machine Learning Interatomic Potentials for Materials
  ☆108Updated 3 years ago
• jkitchin / vasp
  New ASE compliant Python interface to VASP
  ☆132Updated 3 years ago
• abelcarreras / phonolammps
  LAMMPS interface for phonon calculations using phonopy
  ☆88Updated last year
• MaginnGroup / PyLAT
  ☆111Updated 2 years ago
• wolverton-research-group / qmpy
  A suite of computational materials science tools.
  ☆140Updated last year
• BingqingCheng / ASAP
  ASAP is a package that can quickly analyze and visualize datasets of crystal or molecular structures.
  ☆149Updated last year
• QijingZheng / pyband
  band plot using python matplotlib
  ☆175Updated 11 months ago
• skelton-group / Phonopy-Spectroscopy
  A collection of tools for simulating vibrational spectra, which interfaces with the Phonopy package.
  ☆169Updated 2 months ago
• atomisticnet / aenet
  Atomic interaction potentials based on artificial neural networks
  ☆120Updated last month
• SMTG-Bham / doped
  doped is a Python software for the generation, pre-/post-processing and analysis of defect supercell calculations, implementing the defec…
  ☆216Updated 3 weeks ago
• materialsvirtuallab / matgenb
  Jupyter notebooks demonstrating the utilization of open-source codes for the study of materials science.
  ☆265Updated this week
• raman-sc / VASP
  Python program to evaluate off-resonance Raman activity using VASP code as the backend.
  ☆176Updated 9 years ago
• mbkumar / pycdt
  ☆57Updated 3 years ago
• freitas-rodrigo / FreeEnergyLAMMPS
  Examples demonstrating how to reproduce the results in the paper.
  ☆59Updated 11 months ago
• WMD-group / MacroDensity
  Python package to analyse electron density & electrostatic potential grids
  ☆87Updated last year
• nanotheorygroup / kaldo
  Anharmonic Lattice Dynamics
  ☆163Updated this week
• ulissigroup / GASpy
  ☆71Updated 4 years ago
• peteboyd / lammps_interface
  automatic generation of LAMMPS input files for molecular dynamics simulations of MOFs
  ☆159Updated 2 years ago
• tamaswells / XDATCAR_toolkit
  XDATCAR_toolkit- A tool for convert XDATCAR to PDB
  ☆62Updated 6 years ago