Alternatives and similar repositories for achemso

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

• orbkit / orbkit
  A Toolbox for Post-Processing Quantum Chemical Wavefunction Data
  ☆98Updated 4 years ago
• phonopy / phono3py
  A simulation package of phonon-phonon interaction related properties
  ☆142Updated last week
• pekkosk / hotbit
  ASE density-functional tight-binding calculator
  ☆67Updated 7 months ago
• openkim / kim-api
  The Open Knowledgebase of Interatomic Models (OpenKIM) aims to be an online resource for standardized testing, long-term warehousing and …
  ☆32Updated 3 months ago
• vasp-dev / py4vasp
  Python interface for VASP
  ☆85Updated this week
• giovannipizzi / seekpath
  A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures
  ☆138Updated 4 months 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 last month
• wojdyr / debyer
  Debye's scattering equation & other analysis of atomistic models.
  ☆54Updated last year
• lmmentel / ase-espresso
  ase interface for Quantum Espresso
  ☆22Updated 4 years ago
• giacomomarchioro / PyEnergyDiagrams
  This is a simple script to plot energy profile diagrams using Python and matplotlib.
  ☆172Updated last month
• WMD-group / ASE-Tutorials
  Examples of using the Atomic Simulation Environment
  ☆36Updated 9 years ago
• SINGROUP / pycp2k
  Python Cp2k interface
  ☆96Updated 3 years ago
• abinit / pseudo_dojo
  Python framework for generating and validating pseudo potentials
  ☆45Updated last year
• cp2k / cp2k-input-tools
  Fully validating pure-python CP2K input file tools including preprocessing capabilities
  ☆53Updated last week
• WMD-group / MacroDensity
  Python package to analyse electron density & electrostatic potential grids
  ☆87Updated last year
• diffpy / diffpy.structure
  Crystal structure container and parsers for structure formats.
  ☆34Updated last month
• kinisi-dev / kinisi
  A Python package for estimating diffusion properties from molecular dynamics simulations.
  ☆73Updated this week
• jkitchin / python-reaxff
  python wrappers for generating training files for the ReaxFF code
  ☆24Updated 11 years ago
• SUNCAT-Center / CatKit
  General purpose tools for high-throughput catalysis
  ☆95Updated 3 months ago
• Materials-Consortia / OPTIMADE
  Specification of a common REST API for access to materials databases
  ☆94Updated last month
• qmcurrents / gimic
  Gauge-including magnetically induced currents.
  ☆28Updated last year
• usnistgov / atomman
  Atomistic Manipulation Toolkit
  ☆90Updated 3 weeks ago
• TheoChem-VU / PyFrag
  ☆21Updated this week
• nutjunkie / IQmol
  IQmol is an open source molecular editor and visualization package
  ☆106Updated 2 years ago
• lab-cosmo / pimd-tutorial
  Inputs and hand-outs for a PIMD tutorial based on i-PI
  ☆13Updated 7 years ago
• materialsproject / jobflow
  jobflow is a library for writing computational workflows.
  ☆105Updated last week
• polysimtools / pysimm
  python simulation interface for molecular modeling
  ☆96Updated 3 years ago
• nomad-coe / nomad
  NOMAD lets you manage and share your materials science data in a way that makes it truly useful to you, your group, and the community.
  ☆91Updated this week
• vossjo / libbeef
  Library for Bayesian error estimation functionals for use in density functional theory codes
  ☆26Updated 2 years ago
• fxcoudert / tools
  Tools and scripts I wrote and regularly use
  ☆75Updated 3 years ago