Similar repositories to theochem/AtomDB:

• theochem/AtomDB github similar
• QC-Edu/IntroQM2022 github similar
• theochem/gopt github similar
• theochem/B3clf github similar
• theochem/gbasis github similar
• theochem/DiverseSelector github similar
• theochem/grid github similar
• theochem/ModelHamiltonian github similar
• grimme-lab/crest github similar
• PaulWAyers/IntroQChem github similar
• ZhaoYilin/moha github similar
• theochem/chemtools github similar
• theochem/B3DB github similar
• theochem/procrustes github similar
• theochem/iodata github similar
• mcsorkun/ChemPlot github similar
• drorlab/pensa github similar
• ChiCheng45/Gaussium github similar
• luancarvalhomartins/PyAutoFEP github similar
• patonlab/GoodVibes github similar
• GrossfieldLab/loos github similar
• stefanch/sGDML github similar
• duartegroup/autodE github similar
• alchemistry/alchemlyb github similar
• MolSSI/QCElemental github similar
• MolSSI/QCFractal github similar
• westpa/westpa github similar
• masashitsubaki/QuantumDeepField_molecule github similar
• choderalab/pymbar github similar
• rxn4chemistry/rxnmapper github similar
• chemosim-lab/ProLIF github similar
• conda-incubator/condacolab github similar
• MolSSI/cookiecutter-cms github similar
• choderalab/software-development github similar
• openforcefield/openff-toolkit github similar
• openmm/pdbfixer github similar
• psi4/psi4numpy github similar
• mir-group/nequip github similar
• ccsb-scripps/AutoDock-Vina github similar
• charnley/rmsd github similar