Alternatives and similar repositories for achemso

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

• lab-cosmo / pimd-tutorial
  Inputs and hand-outs for a PIMD tutorial based on i-PI
  ☆13Updated 6 years ago
• lavakyan / ase-bimetall
  Collection of ASE (Atomic Simulation Environment) Scripts for Bimetallic Nanoparticles
  ☆10Updated 3 years ago
• radi0sus / orca_uv
  Plots absorption spectra from from ORCA output files
  ☆19Updated 7 months ago
• cp2k / cp2k-input-tools
  Fully validating pure-python CP2K input file tools including preprocessing capabilities
  ☆53Updated last week
• smutao / PyVibMS
  A PyMOL plugin for visualizing vibrations in molecules and solids
  ☆42Updated 7 months ago
• dilkins / TENSOAP
  Public repository for symmetry-adapted Gaussian Process Regression (SA-GPR)
  ☆20Updated 3 months ago
• bjmorgan / kinisi
  A Python package for estimating diffusion properties from molecular dynamics simulations.
  ☆66Updated 3 weeks ago
• lmmentel / ase-espresso
  ase interface for Quantum Espresso
  ☆22Updated 4 years ago
• wojdyr / debyer
  Debye's scattering equation & other analysis of atomistic models.
  ☆53Updated last year
• patonlab / Kinisot
  Compute Kinetic Isotope Effects using the Bigeleisen-Mayer equation
  ☆21Updated last year
• 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.
  ☆53Updated last year
• arohl / gdis
  A visualization program for the display, manipulation, and analysis of isolated molecules and periodic structures
  ☆43Updated 2 months ago
• Materials-Consortia / OPTIMADE
  Specification of a common REST API for access to materials databases
  ☆87Updated 3 weeks ago
• pekkosk / hotbit
  ASE density-functional tight-binding calculator
  ☆66Updated 3 months ago
• TheoChem-VU / PyFrag
  ☆20Updated last week
• JaGeo / LobsterPy
  Package to perform automatic bonding analysis with the program Lobster in the field of computational materials science and quantum chemis…
  ☆87Updated this week
• mturiansky / abcv
  A python-based crystal viewer built upon the fresnel and pymatgen libraries.
  ☆16Updated 11 months ago
• fullmetalfelix / ML-CSC-tutorial
  ☆23Updated 2 years ago
• aiidateam / aiida-cp2k
  The CP2K plugin for the AiiDA workflow and provenance engine.
  ☆23Updated last month
• SMTG-Bham / easyunfold
  Band structure unfolding made easy!
  ☆53Updated last week
• dev-zero / cp2k-tools
  DEPRECATED: Simple python scripts to somehow mangle CP2K output and generate some input
  ☆25Updated 6 years ago
• aiidateam / aiida-common-workflows
  A repository for the implementation of common workflow interfaces across materials-science codes and plugins
  ☆54Updated 6 months ago
• libmbd / libmbd
  Many-body dispersion library
  ☆54Updated 7 months ago
• sparks-baird / xtal2png
  Encode/decode a crystal structure to/from a grayscale PNG image for direct use with image-based machine learning models such as Palette.
  ☆37Updated last year
• vossjo / libbeef
  Library for Bayesian error estimation functionals for use in density functional theory codes
  ☆24Updated 2 years ago
• molmod / QuickFF
  A Python code to quickly derive ab initio parameterized force fields.
  ☆41Updated last year
• WMD-group / ASE-Tutorials
  Examples of using the Atomic Simulation Environment
  ☆34Updated 9 years ago
• orbkit / orbkit
  A Toolbox for Post-Processing Quantum Chemical Wavefunction Data
  ☆97Updated 3 years ago
• aoterodelaroza / nciplot
  Non-covalent index plots in molecular systems.
  ☆20Updated 7 years ago
• ltalirz / asetk
  Toolkit using the Atomistic Simulation Environment (ASE)
  ☆19Updated 5 years ago