Alternatives and similar repositories for cif_core

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

• cyllab / ccinput
  Computational Chemistry Input Generator
  ☆50Updated 3 months ago
• IUPAC / IUPAC-FAIRSpec
  IUPAC Project 2019-031-1-024 FAIR Spectroscopy Data Specification
  ☆12Updated last month
• mosdef-hub / gmso
  Flexible storage of chemical topology for molecular simulation
  ☆67Updated last week
• cod-developers / cod-tools
  Tools for handling CIF files, and CIF parsers used for the Crystallography Open Database (COD)
  ☆23Updated this week
• Liu-group / AutoSolvate
  Automated workflow for generating quantum chemistry calculation of explicitly solvated molecules
  ☆56Updated this week
• shirtsgroup / physical_validation
  Physical validation of molecular simulations
  ☆57Updated 3 weeks ago
• ur-whitelab / hoomd-tf
  A plugin that allows the use of Tensorflow in Hoomd-Blue for GPU-accelerated ML+MD
  ☆33Updated last year
• MolSSI-MDI / MDI_Library
  A library that enables code interoperability via the MolSSI Driver Interface.
  ☆34Updated 2 months ago
• neo-chem / awesome-chemical-data
  Curated list of known efforts in collecting and/or curating of chemical/materials data
  ☆23Updated 5 years ago
• nglviewer / mdsrv
  MD trajectory server
  ☆35Updated 2 years ago
• Materials-Consortia / OPTIMADE
  Specification of a common REST API for access to materials databases
  ☆98Updated last month
• whitead / ternviz
  ☆11Updated last year
• choderalab / thermopyl
  Tools for ThermoML parsing
  ☆21Updated 4 years ago
• MADICES / MADICES-2022
  This repository contains organizational notes and details for the CECAM MADICES workshop, 7th-9th February 2022.
  ☆13Updated 3 years ago
• nomad-coe / electronic-parsers
  ☆23Updated last week
• openforcefield / openff-interchange
  A project (and object) for storing, manipulating, and converting molecular mechanics data.
  ☆86Updated this week
• ReactionMechanismGenerator / ARC
  ARC - Automatic Rate Calculator
  ☆48Updated this week
• SCM-NV / qmflows
  This library tackles the construction and efficient execution of computational chemistry workflows
  ☆52Updated last year
• eljost / thermoanalysis
  Stand-alone thermochemistry in python for ORCA and Gaussian.
  ☆33Updated last year
• m3g / Packmol.jl
  The future of Packmol
  ☆40Updated last month
• chemreps / chemreps
  Implementation of various machine learning representations for molecules
  ☆25Updated 4 years ago
• patonlab / pyQRC
  Quick Reaction Coordinate: normal mode displacement of transition structures
  ☆39Updated last week
• SCM-NV / PLAMS
  Python Library for Automating Molecular Simulations
  ☆87Updated this week
• bio-phys / MDBenchmark
  Quickly generate, start and analyze benchmarks for molecular dynamics simulations.
  ☆80Updated last year
• mcocdawc / chemcoord
  A python module for manipulating cartesian and internal coordinates.
  ☆86Updated 3 months ago
• theochem / chemtools
  A collection of interpretive chemical tools for analyzing outputs of the quantum chemistry calculations.
  ☆53Updated last year
• molmod / molmod
  MolMod is a collection of molecular modelling tools for python.
  ☆60Updated last year
• robashaw / geomConvert
  A python utility to convert between XYZ and Z-matrix geometries.
  ☆42Updated 3 years ago
• jevandezande / zmatrix
  A class for conversion between zmatrices and cartesian coordinates
  ☆34Updated 5 years ago
• Matgenix / turbomoleio
  Turbomoleio is a python package containing a set of tools for the generation of inputs and parsing of outputs for the TURBOMOLE quantum c…
  ☆21Updated last year