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
- compchemparser — The `compchemparser` package provides parsers to convert quantum chemistry log files into a more condensed JSON format.
- dbstep — DFT Based Steric Parameters
- ePSproc — Post-processing suite for ePolyScat calculations (Matlab & Python).
- fastlogfileparser — Parse computational chemistry log files, but fast-ly.
- 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
- natorbs — Quantum-chemical utility for computing natural orbitals
- overreact — ⚛️📈 Create and analyze chemical microkinetic models built from computational chemistry data
- PyCESim — PyCESim - classical simulation of Coulomb explosion
- pyiets — A tool for calculating inelastic tunneling spectra
- pymolresponse — Molecular frequency-dependent response properties for arbitrary operators
- 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
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