Alternatives and similar repositories for achemso

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

• cp2k / cp2k-input-tools
  Fully validating pure-python CP2K input file tools including preprocessing capabilities
  ☆55Updated this week
• lmmentel / ase-espresso
  ase interface for Quantum Espresso
  ☆22Updated 4 years ago
• wojdyr / debyer
  Debye's scattering equation & other analysis of atomistic models.
  ☆54Updated last year
• WMD-group / ASE-Tutorials
  Examples of using the Atomic Simulation Environment
  ☆37Updated 9 years ago
• vossjo / libbeef
  Library for Bayesian error estimation functionals for use in density functional theory codes
  ☆26Updated 2 years ago
• vasp-dev / py4vasp
  Python interface for VASP
  ☆86Updated this week
• qmcurrents / gimic
  Gauge-including magnetically induced currents.
  ☆30Updated last year
• SINGROUP / pycp2k
  Python Cp2k interface
  ☆98Updated 3 years ago
• zorkzou / Molden2AIM
  Molden2AIM is a utility program which can be used to create AIM-WFN, AIM-WFX, and NBO-47 files from a Molden file.
  ☆56Updated 2 months ago
• Materials-Consortia / OPTIMADE
  Specification of a common REST API for access to materials databases
  ☆95Updated this week
• orbkit / orbkit
  A Toolbox for Post-Processing Quantum Chemical Wavefunction Data
  ☆98Updated 4 years ago
• abinit / abipy
  Open-source library for analyzing the results produced by ABINIT
  ☆126Updated this week
• openkim / kim-api
  The Open Knowledgebase of Interatomic Models (OpenKIM) aims to be an online resource for standardized testing, long-term warehousing and …
  ☆32Updated this week
• TheoChem-VU / PyFrag
  ☆21Updated 2 weeks ago
• kinisi-dev / kinisi
  A Python package for estimating diffusion properties from molecular dynamics simulations.
  ☆73Updated this week
• pekkosk / hotbit
  ASE density-functional tight-binding calculator
  ☆67Updated 7 months ago
• jkitchin / python-reaxff
  python wrappers for generating training files for the ReaxFF code
  ☆24Updated 11 years ago
• dev-zero / cp2k-tools
  DEPRECATED: Simple python scripts to somehow mangle CP2K output and generate some input
  ☆26Updated 6 years ago
• WMD-group / MacroDensity
  Python package to analyse electron density & electrostatic potential grids
  ☆87Updated last year
• lmhale99 / atomman
  Atomistic Manipulation Toolkit
  ☆36Updated 3 weeks ago
• phonopy / phono3py
  A simulation package of phonon-phonon interaction related properties
  ☆145Updated this week
• materialsproject / jobflow
  jobflow is a library for writing computational workflows.
  ☆110Updated this week
• nomad-coe / electronic-parsers
  ☆23Updated this week
• materialsproject / pymatgen-db
  Pymatgen-db provides an addon to the Python Materials Genomics (pymatgen) library (https://pypi.python.org/pypi/pymatgen) that allows the…
  ☆50Updated 2 weeks ago
• abinit / pseudo_dojo
  Python framework for generating and validating pseudo potentials
  ☆46Updated last year
• aiidateam / aiida-common-workflows
  A repository for the implementation of common workflow interfaces across materials-science codes and plugins
  ☆54Updated 10 months ago
• giovannipizzi / seekpath
  A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures
  ☆141Updated 5 months ago
• JFurness1 / EnergyLeveller
  A python script to plot an energy level diagram from an input file.
  ☆29Updated 4 years ago
• usnistgov / atomman
  Atomistic Manipulation Toolkit
  ☆90Updated last month
• deepmodeling / dpdispatcher
  generate HPC scheduler systems jobs input scripts and submit these scripts to HPC systems and poke until they finish
  ☆52Updated this week