Reverse Dependencies of openbabel-wheel

The following projects have a declared dependency on openbabel-wheel:

• atomate — atomate has implementations of FireWorks workflows for Materials Science
• chem-ant — Select materials to output molecules similar to the target molecule with MCTS Solver and Genetic Programming.
• clusttraj — Performs clustering of molecular dynamics and Monte Carlo trajectories.
• dok2any — Convert DOK files to various chemical structure formats using Open Babel.
• dpgen — DP-GEN: The deep potential generator
• equilibrator-assets — Generate cache assets from MetaNetX content.
• equilibrator-cheminfo — Light adapter classes around Open Babel, RDKit, and ChemAxon for the functionality needed in eQulibrator.
• GaussianRunner — A script to run Gaussian automatically.
• ivette — Python client for Ivette Computational chemistry and Bioinformatics project
• libcoffee — A library for compound filtering via fragment-based efficient evaluation
• mddatasetbuilder — A script to generate molecular dynamics (MD) datasets for machine learning from given LAMMPS trajectories automatically.
• MLinvitroTox — MLinvitroTox performs high-throughput hazard-based prioritization of high-resolution mass spectrometry data.
• mofstructure — A Python tool to deconstruct MOFs into building units and compute porosity. The code removes guests from MOFs and all porous systems, computes SMILES strings and InChIKeys of all building units.
• molbox — Create simulation boxes for LAMMPS.
• procaliper — Skeleton project created by Python Project Wizard (ppw).
• qcio — Beautiful and user friendly data structures for quantum chemistry.
• QM40-dataset-for-ML — QM40 is a QMx type of dataset which includes 150K molecules optimized from B3LYP/6-31G(2df,p) level of theory in the Gaussian16 with QM parameters, optimized coordinates, Mulliken charges and Local vibrational mode parameters as a quantitative measurer of the bond strengths.
• QMzyme — QM-based enzyme model generation and validation.
• rdmc — A light-weight software package with expertise in handling Reaction Data and Molecular (including transitions states) Conformers.
• ReacNetGenerator — ReacNetGenerator: An automatic reaction network generator for reactive molecular dynamics simulation.