Alternatives and similar repositories for ase_tools

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

• lyg-ucl / md2d
  MD2D: a python module for accurate determination of diffusion coefficient from molecular dynamics
  ☆21Updated 2 years ago
• plrodolfo / FluidFreeEnergyforLAMMPS
  Fluid-phase Free-energy Calculation package for LAMMPS
  ☆26Updated 3 years ago
• MaterSim / vasprun
  quick analysis of vasp calculation
  ☆36Updated last year
• vaspkit / 1st_VASPKIT_CUP
  Source codes of the 1st VASPKIT-PAPATERA CUP Awards
  ☆25Updated 5 years ago
• Asif-Iqbal-Bhatti / Script-to-extract-various-properties-from-VASP-OUTCAR-file
  Scripts to extract various properties from VASP OUTCAR file
  ☆11Updated last year
• FedeDat / VASP-tutorial
  Introductory course on the Vienna Ab Initio Simulation Package (VASP) given by Dr. Federico Dattila at the Institute of Chemical Research…
  ☆21Updated 2 years ago
• bigbrosci / q-robot
  ☆24Updated last month
• i-pi / tutorials-schools
  ☆17Updated 4 years ago
• QuantumMisaka / LASP_autotrain_lib
  LASP python library including scripts and auto-NNtrain workflow
  ☆19Updated last year
• keeeto / VASP-Elastic
  Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities
  ☆26Updated 9 years ago
• aradi / SCPC-Method
  ☆26Updated 6 months ago
• SSlakeLabTiangong / 2019_workshop
  ☆14Updated 5 years ago
• cndaqiang / Radial_Distribution_Function_rdf
  Radial Distribution Function(rdf) 镜像分布函数计算
  ☆15Updated 4 years ago
• dev-zero / cp2k-tools
  DEPRECATED: Simple python scripts to somehow mangle CP2K output and generate some input
  ☆26Updated 6 years ago
• tamaswells / XDATCAR_toolkit
  XDATCAR_toolkit- A tool for convert XDATCAR to PDB
  ☆60Updated 6 years ago
• sissaschool / sportran
  A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermoce…
  ☆42Updated 6 months ago
• DerekDardzinski / vaspvis
  A highly flexible and customizable library for visualizing electronic structure data from VASP calculations.
  ☆37Updated 9 months ago
• lingtikong / latgen
  Code to generate crystalline lattice with different orientations.
  ☆9Updated 2 months ago
• JaGeo / IR
  Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP
  ☆29Updated 3 years ago
• jrschmidt2 / periodic-NBO
  ☆36Updated 5 years ago
• velocirobbie / make-graphitics
  ☆43Updated 5 years ago
• hello-arun / tutorials
  Tutorials of codes such as VASP, Quantum Espresso and Lammps
  ☆13Updated 2 months ago
• haidi-ustc / maptools
  A open source program for materials simulation data process, which is mainly based on Pymatgen code
  ☆22Updated 5 years ago
• winterPack / ReaxFF-Optimization
  Training code used to optimize reaxff force field (via LAMMPS)
  ☆19Updated 8 years ago
• utf / pymlff
  A lightweight python package for reading and writing VASP ML_AB files
  ☆36Updated 4 months ago
• luzihen / pymatgen_examples
  Some examples of using pymatgen code
  ☆23Updated 9 months ago
• rashidrafeek / Quantum-ESPRESSO-scripts
  Python scripts to postprocess Quantum Espresso calclations.
  ☆18Updated 5 years ago
• qzhu2017 / RDF
  A code to compute the radial distribution function
  ☆20Updated 6 years ago
• mogroupumd / aimd
  ☆41Updated 6 years ago
• icomse / DFT_summer_2022
  Repository for 2022 Summer DFT for Catalysis i-CoMSE workshop
  ☆13Updated last year