Reverse Dependencies of cclib

The following projects have a declared dependency on cclib:

• aiida-aimall — A plugin to interface AIMAll with AiiDA
• aiida-gaussian — AiiDA plugin for the Gaussian quantum chemistry software.
• atomate2 — atomate2 is a library of materials science workflows
• autodft — Automated conformer searching and DFT calculations
• cclib — parsers and algorithms for computational chemistry
• chemreps — Molecular machine learning representations
• compchem-si — A plugin for generating SI data from Gaussian output files
• compchemparser — The `compchemparser` package provides parsers to convert quantum chemistry log files into a more condensed JSON format.
• dbstep — DFT Based Steric Parameters
• digichem-core — Open-source library for Digichem core components
• ePSproc — Post-processing suite for ePolyScat calculations (Matlab & Python).
• EZFF — Multiobjective forcefield optimization for Molecular Dynamics
• fastlogfileparser — Parse computational chemistry log files, but fast-ly.
• firecode — Computational chemistry general purpose ensemble optimizer and transition state builder
• gaussian-step — A SEAMM plugin for A SEAMM plug-in for Gaussian
• hotpot-zzy — A python package designed to communicate among various chemical and materials calculational tools
• materia — Module for integrated materials simulations.
• mbGDML — Create, use, and analyze machine learning potentials within the many-body expansion framework
• Molara — A visualisation tool for chemical structures.
• natorbs — Quantum-chemical utility for computing natural orbitals
• overreact — ⚛️📈 Create and analyze chemical microkinetic models built from computational chemistry data
• peslearn — Automated Construction of Machine Learning Models of Molecular Potential Energy Surfaces.
• psi4-step — A SEAMM plug-in to setup, run and analyze quantum chemistry calculations using Psi4
• PyCESim — PyCESim - classical simulation of Coulomb explosion
• pyiets — A tool for calculating inelastic tunneling spectra
• pymolresponse — Molecular frequency-dependent response properties for arbitrary operators
• python-autojob — tools for automating job creation and management for DFT calculations
• qc2champ — qc2champ: Convert a quantum chmical output file to a CHAMP input file.
• quacc — A platform to enable high-throughput, database-driven quantum chemistry and computational materials science
• rdmc — A light-weight software package with expertise in handling Reaction Data and Molecular (including transitions states) Conformers.
• reptar — A tool for storing and analyzing manuscript-scale computational chemistry data
• smoothtransitions — no summary
• theodore — Theoretical Density, Orbital Relaxation and Exciton analysis
• tscode — Computational chemistry general purpose transition state builder and ensemble optimizer